2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C18H17N3O3 — CID 3236989

IUPAC2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-12-19-16-9-4-3-8-15(16)18(23)21(12)20-17(22)11-13-6-5-7-14(10-13)24-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyIKWCDFLAFBYHKI-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide

2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 3236989) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID3236989
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-12-19-16-9-4-3-8-15(16)18(23)21(12)20-17(22)11-13-6-5-7-14(10-13)24-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyIKWCDFLAFBYHKI-UHFFFAOYSA-N
XLogP2.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide 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-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 3236989) is 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide is COc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is IKWCDFLAFBYHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-19-16-9-4-3-8-15(16)18(23)21(12)20-17(22)11-13-6-5-7-14(10-13)24-2/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 3236989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).