5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one

C17H16N2O3 — CID 166629023

IUPAC5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-10-5-4-6-11(7-10)16-18-13-8-12(21-2)9-14(22-3)15(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyLZFNJRYLCGMJLS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.92
Rot. Bonds3

About 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one

5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one (PubChem CID 166629023) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
PubChem CID166629023
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-10-5-4-6-11(7-10)16-18-13-8-12(21-2)9-14(22-3)15(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyLZFNJRYLCGMJLS-UHFFFAOYSA-N
XLogP2.92
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethoxy-2-(3-methylphenyl)-3H-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-[2-[2-[2-[2-[2-[2-[3-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 156823805
2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136593458
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 136611317
2-[4-(2-anilinoethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136642583
2-[4-(2-ethoxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 166705083
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]propane-1-sulfonic acid
CID 136501064
4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
2-[4-[2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)ethoxy]-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136659248
3-[2-[2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]ethoxy]ethoxy]propanoic acid
CID 164785230
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 135939108
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one (CID 166629023) is 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one is COc1cc(OC)c2c(=O)[nH]c(-c3cccc(C)c3)nc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is LZFNJRYLCGMJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-5-4-6-11(7-10)16-18-13-8-12(21-2)9-14(22-3)15(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 166629023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).