3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H22N4O4S — CID 1096313

IUPAC3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22N4O4S/c26-20(11-14-24-15-22-19-6-2-1-5-18(19)21(24)27)23-16-7-9-17(10-8-16)30(28,29)25-12-3-4-13-25/h1-2,5-10,15H,3-4,11-14H2,(H,23,26)
InChIKeyQWSQDLDPYSCHEK-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.21
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 1096313) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID1096313
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22N4O4S/c26-20(11-14-24-15-22-19-6-2-1-5-18(19)21(24)27)23-16-7-9-17(10-8-16)30(28,29)25-12-3-4-13-25/h1-2,5-10,15H,3-4,11-14H2,(H,23,26)
InChIKeyQWSQDLDPYSCHEK-UHFFFAOYSA-N
XLogP2.21
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)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 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 1096313) is 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is QWSQDLDPYSCHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-20(11-14-24-15-22-19-6-2-1-5-18(19)21(24)27)23-16-7-9-17(10-8-16)30(28,29)25-12-3-4-13-25/h1-2,5-10,15H,3-4,11-14H2,(H,23,26).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 426.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 1096313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).