12-methylbenzo[b]acridine-6,11-dione

C18H11NO2 — CID 6477183

IUPAC12-methylbenzo[b]acridine-6,11-dione
SMILESCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H11NO2/c1-10-11-6-4-5-9-14(11)19-16-15(10)17(20)12-7-2-3-8-13(12)18(16)21/h2-9H,1H3
InChIKeyPZGXVTAEJLFKLP-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.32
Rot. Bonds

About 12-methylbenzo[b]acridine-6,11-dione

12-methylbenzo[b]acridine-6,11-dione (PubChem CID 6477183) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 12-methylbenzo[b]acridine-6,11-dione.

Molecular Properties

Compound Name12-methylbenzo[b]acridine-6,11-dione
PubChem CID6477183
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name12-methylbenzo[b]acridine-6,11-dione
SMILESCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H11NO2/c1-10-11-6-4-5-9-14(11)19-16-15(10)17(20)12-7-2-3-8-13(12)18(16)21/h2-9H,1H3
InChIKeyPZGXVTAEJLFKLP-UHFFFAOYSA-N
XLogP3.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

Quinoline Yellow
CID 6731
2-Benzoylquinoline
CID 727029
Flavanthrone
CID 68059
Naphtho(3,2-F)quinoxaline-7,12-dione
CID 12567021
11H-Indeno[1,2-b]quinolin-11-one
CID 245882
Benzo(g)quinoline-5,10-dione
CID 323141
1-acetyl-2-chloro-7H-naphtho[1,2,3-de]quinolin-7-one
CID 761589
Benzocarbazoledione
CID 11436556
4-Methylbenzo(g)quinoline-5,10-dione
CID 457732
1H-Indene-1,3(2H)-dione, 2-benzo[f]quinolin-3-yl-
CID 95199
7-Oxo-7H-dibenzo[de,g]quinoline
CID 326183
2-methyl-7H-naphtho[1,2,3-de]quinolin-7-one
CID 906373

Frequently Asked Questions

What is the IUPAC name of 12-methylbenzo[b]acridine-6,11-dione?
The IUPAC name of 12-methylbenzo[b]acridine-6,11-dione (CID 6477183) is 12-methylbenzo[b]acridine-6,11-dione.
What is the SMILES notation for 12-methylbenzo[b]acridine-6,11-dione?
The canonical SMILES for 12-methylbenzo[b]acridine-6,11-dione is Cc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of 12-methylbenzo[b]acridine-6,11-dione?
The InChIKey is PZGXVTAEJLFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c1-10-11-6-4-5-9-14(11)19-16-15(10)17(20)12-7-2-3-8-13(12)18(16)21/h2-9H,1H3.
What are the key properties of 12-methylbenzo[b]acridine-6,11-dione?
12-methylbenzo[b]acridine-6,11-dione has a molecular weight of 273.29 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylbenzo[b]acridine-6,11-dione is sourced from PubChem (CID 6477183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).