N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H14ClN3O2 — CID 800354

IUPACN-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-12-4-3-5-13(10-12)20-16(22)8-9-21-11-19-15-7-2-1-6-14(15)17(21)23/h1-7,10-11H,8-9H2,(H,20,22)
InChIKeyOCYMSPKYMXUPDO-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 800354) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID800354
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-12-4-3-5-13(10-12)20-16(22)8-9-21-11-19-15-7-2-1-6-14(15)17(21)23/h1-7,10-11H,8-9H2,(H,20,22)
InChIKeyOCYMSPKYMXUPDO-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-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-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 800354) is N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is OCYMSPKYMXUPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-12-4-3-5-13(10-12)20-16(22)8-9-21-11-19-15-7-2-1-6-14(15)17(21)23/h1-7,10-11H,8-9H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 327.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 800354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).