5,12-Dihydro-2,9-dimethylquino(2,3-b)acridine-7,14-dione

CAS 980-26-7 · C₂₂H₁₆N₂O₂ · MW 340.4 g/mol

Informazioni su 5,12-Dihydro-2,9-dimethylquino(2,3-b)acridine-7,14-dione

5,12-Dihydro-2,9-dimethylquino(2,3-b)acridine-7,14-dione è un composto chimico registrato con il numero CAS 980-26-7, con formula bruta C₂₂H₁₆N₂O₂, e massa molare di 340.4 g/mol.

La molecola contiene 42 atomi collegati da 46 legami chimici. Il nome sistematico IUPAC completo di questo composto è 2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione. Il modello 3D interattivo qui sopra permette di visualizzare la disposizione spaziale degli atomi — puoi ruotarlo con il mouse, zoomare con la rotellina e passare tra le modalità di visualizzazione scheletro / Ball & Stick / Space Fill.

Dal punto di vista delle proprietà chimico-fisiche, il coefficiente di ripartizione logP = 4.8 (valore positivo, composto lipofilo), superficie polare PSA = 58.2 Å², 2 donatori e 4 accettori di legami a idrogeno. Questi parametri sono fondamentali per valutare la biodisponibilità e l'interazione con le biomolecole.

I dati chimici di questo composto provengono da PubChem (NIH NLM NCBI), uno dei più grandi database chimici al mondo. Tutte le informazioni sono aggiornate automaticamente e arricchite con le traduzioni delle indicazioni di pericolo GHS conformi al Regolamento CLP (CE 1272/2008). Il widget qui sopra può essere utilizzato per scopi educativi, di ricerca e commerciali.

Proprietà chimico-fisiche

Molecular formula	C₂₂H₁₆N₂O₂
Masa molowa	340.4 g/mol
IUPAC	2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILES	`CC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)C`
InChIKey	`TXWSZJSDZKWQAU-UHFFFAOYSA-N`
logP (XLogP3)	4.8
PSA	58.2 Å²
HBD / HBA	2 / 4
PubChem CID	CID 70423 ↗

Letteratura scientifica

Related literature

11 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (11 articles)

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Synthesis and Crystal Structures of 3,3,6,6-tetramethyl-9-(2,4-dichlorophenyl)-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione and 3,3,6,6-tetramethyl-9,10-di(4-methoxyphenyl)-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione

Da-Qing Shi, Sai-Nan Ni, Fang Yang et al. (2007) · Journal of Chemical Crystallography

Cytowania: 4$ PaywallDOI ↗

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A Review on Synthesis of Acridine and Acridine-1,8-dione Derivatives

Sachin S. Sagar* (2026) · Journal of Advanced Chemical Sciences

Open AccessDOI ↗PDF ↗

3,3-DIMETHYL-1,5-DIPHENYLPENTANE-1,5-DIONE

(1987) · Organic Syntheses

Cytowania: 14$ PaywallDOI ↗

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FACILE SYNTHESIS AND CRYSTAL STRUCTURE OF 1,5-DIMETHYL-6-THIOXO-1,3,5-TRIAZINANE-2,4-DIONE

(2015) · Журнал структурной химии

Open AccessDOI ↗PDF ↗

3,3‐Dimethyl‐1,5‐Diphenylpentane‐1,5‐dione

Koichi Narasaka (2003) · Organic Syntheses

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ChemInform Abstract: One‐Pot Synthesis of 14‐Aryl‐1,6,7,14‐tetrahydrodibenzo[a,i]acridine‐1,6‐dione in Ionic Liquid.

Yuling Li, Xiaoping Xu, Daqing Shi et al. (2009) · ChemInform

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Construction of Spiro[benzo[a]acridine-12,4-imidazolidine]-2,5-dione Derivatives via Ring-Opening and Recyclization of Isatins and COH Cleavage of 2Naphthol

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Oxazine-2,6-dione N-methylation with dimethyl sulfate

John MacMillan (2012) · ChemSpider Synthetic Pages

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Diterpene Total Synthesis : An Improved Stereoselective Route to (±)-3,4,5,5a,7,8,8aα,8bα-Octahydro-2aα,5aβ-Dimethyl-2H-Naphto-|1,8-Bc|Furan-2,6-(2aH)-Dione

Luc Van Hijfte, Maurits Vandewalle (1984) · Synthetic Communications

Cytowania: 3$ PaywallDOI ↗

1,3‐Dithiolane‐2,4‐Dione, 5,5‐Dimethyl‐, 2‐(Dimethyhydrazone), 4‐(O‐((Methylethyl((Trichloromethyl)Thio)Amino)Carbonyl)Oxime) 71108‐14‐0

(2012) · Sax's Dangerous Properties of Industrial Materials

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ChemInform Abstract: STEREOSELECTIVE TOTAL SYNTHESIS OF COPA AND YLANGO SESQUITERPENOIDS. PREPARATION OF (‐)‐(1S,4S,5R,7R)‐1,7‐DIMETHYL‐4‐ISOPROPYLBICYCLO(3.2.1)OCTA‐6,8‐DIONE AND (+)‐(1R,4S,5S,7S)‐1,7‐DIMETHYL‐4‐ISOPROPYLBICYCLO(3.2.1)OCTA‐6,8‐DIONE

EDWARD PIERS, RONALD W. BRITTON, M. BERT GERAGHTY et al. (1976) · Chemischer Informationsdienst

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Sinonimi

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-2,9-dimethyl- · 5,12-Dihydro-2,9-dimethylquino(2,3-b)acridine-7,14-dione · 5,12-dihydro-2,9-dimethylquino[2,3-b]acridine-7,14-dione · Quino(2,3-b)acridine-7,14-dione, 5,12-dihydro-2,9-dimethyl- · RefChem:527589 · 980-26-7 · 2,9-Dimethylquinacridone · 2,9-Dimethylquinolino[2,3-b]acridine-7,14(5H,12H)-dione · Hostaperm Pink E · Monolite Rubine 3B · 2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione · Hostperm Pink E 02 · Fastogen Super Magneta RS · Quindo Magneta RV 6803 · C.I. 73915

Fonti dei dati

📊 PubChem CID 70423 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność

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