N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C19H19N3O2 — CID 975079

IUPACN-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-13-7-8-16(14(2)11-13)21-18(23)9-10-22-12-20-17-6-4-3-5-15(17)19(22)24/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyDOZVAQJYYVLSAL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.04
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 975079) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID975079
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-13-7-8-16(14(2)11-13)21-18(23)9-10-22-12-20-17-6-4-3-5-15(17)19(22)24/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyDOZVAQJYYVLSAL-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide 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-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 975079) is N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is DOZVAQJYYVLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-8-16(14(2)11-13)21-18(23)9-10-22-12-20-17-6-4-3-5-15(17)19(22)24/h3-8,11-12H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 975079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).