2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one

C19H18N2O3 — CID 137100934

IUPAC2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one
SMILESCOc1cccc(CCC(=O)c2nc3ccc(C)cc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O3/c1-12-6-8-16-15(10-12)19(23)21-18(20-16)17(22)9-7-13-4-3-5-14(11-13)24-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21,23)
InChIKeyPDVHEDQOHGFDFR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.06
Rot. Bonds5

About 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one

2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one (PubChem CID 137100934) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one
PubChem CID137100934
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one
SMILESCOc1cccc(CCC(=O)c2nc3ccc(C)cc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O3/c1-12-6-8-16-15(10-12)19(23)21-18(20-16)17(22)9-7-13-4-3-5-14(11-13)24-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21,23)
InChIKeyPDVHEDQOHGFDFR-UHFFFAOYSA-N
XLogP3.06
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one (CID 137100934) is 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one is COc1cccc(CCC(=O)c2nc3ccc(C)cc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one?
The InChIKey is PDVHEDQOHGFDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-6-8-16-15(10-12)19(23)21-18(20-16)17(22)9-7-13-4-3-5-14(11-13)24-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one?
2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 137100934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).