6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one

C18H18N2O3 — CID 808669

IUPAC6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCOc1cc2nc(C)n(-c3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C18H18N2O3/c1-11-5-7-13(8-6-11)20-12(2)19-15-10-17(23-4)16(22-3)9-14(15)18(20)21/h5-10H,1-4H3
InChIKeyQLNHEWRFJHPULR-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.02
Rot. Bonds3

About 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one

6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 808669) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
PubChem CID808669
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCOc1cc2nc(C)n(-c3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C18H18N2O3/c1-11-5-7-13(8-6-11)20-12(2)19-15-10-17(23-4)16(22-3)9-14(15)18(20)21/h5-10H,1-4H3
InChIKeyQLNHEWRFJHPULR-UHFFFAOYSA-N
XLogP3.02
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
2,6,7-trimethyl-3-[4-(methylamino)phenyl]quinazolin-4-one
CID 171649499
6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134146044
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
6,7-dimethoxy-2-(4-methylphenyl)-3,1-benzoxazin-4-one
CID 678968
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
3-(4-chlorophenyl)-6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134139321
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea
CID 30368597
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
CID 933441

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one (CID 808669) is 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one is COc1cc2nc(C)n(-c3ccc(C)cc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is QLNHEWRFJHPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-5-7-13(8-6-11)20-12(2)19-15-10-17(23-4)16(22-3)9-14(15)18(20)21/h5-10H,1-4H3.
What are the key properties of 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one?
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 310.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 808669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).