N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H15N3O2 — CID 2904511

IUPACN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O2/c1-12-5-4-6-13(9-12)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyDVCMGYBVNAHWTH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.34
Rot. Bonds3

About N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2904511) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2904511
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O2/c1-12-5-4-6-13(9-12)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyDVCMGYBVNAHWTH-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylphenyl)-2-(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 N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2904511) is N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is Cc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DVCMGYBVNAHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-5-4-6-13(9-12)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2904511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).