3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one

C17H14N2O4 — CID 42507232

IUPAC3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
SMILESCOc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1
InChIInChI=1S/C17H14N2O4/c1-10-18-14-5-4-12(21-2)8-13(14)17(20)19(10)11-3-6-15-16(7-11)23-9-22-15/h3-8H,9H2,1-2H3
InChIKeyHINLRMHSSBNGLU-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.43
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one

3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one (PubChem CID 42507232) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
PubChem CID42507232
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
SMILESCOc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1
InChIInChI=1S/C17H14N2O4/c1-10-18-14-5-4-12(21-2)8-13(14)17(20)19(10)11-3-6-15-16(7-11)23-9-22-15/h3-8H,9H2,1-2H3
InChIKeyHINLRMHSSBNGLU-UHFFFAOYSA-N
XLogP2.43
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-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
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
CID 21004566
N-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 66689329
ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
CID 101012963
6-(1,3-benzodioxol-5-yl)-2-[1-(4-methoxyphenyl)ethylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53332511
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxyquinazolin-4-one
CID 7749326
6,7-dimethoxy-2-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 808669
3-(1,3-benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one
CID 3135733
6-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 5033350
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one (CID 42507232) is 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one is COc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one?
The InChIKey is HINLRMHSSBNGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-18-14-5-4-12(21-2)8-13(14)17(20)19(10)11-3-6-15-16(7-11)23-9-22-15/h3-8H,9H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one?
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one has a molecular weight of 310.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one is sourced from PubChem (CID 42507232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).