3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide

C21H23N3O2 — CID 53159170

IUPAC3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2ccc(C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-3-24-19(23-18-7-5-4-6-17(18)21(24)26)12-13-20(25)22-14-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyJYLAWEGJPZVICG-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.97
Rot. Bonds6

About 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide

3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 53159170) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID53159170
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCCn1c(CCC(=O)NCc2ccc(C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-3-24-19(23-18-7-5-4-6-17(18)21(24)26)12-13-20(25)22-14-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyJYLAWEGJPZVICG-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
CID 53159171
3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 53159187
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
N-[(4-methylphenyl)methyl]-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)butanamide
CID 50806674
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9080818
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739
2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345449
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanamide
CID 4304340
N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6622635

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 53159170) is 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide is CCn1c(CCC(=O)NCc2ccc(C)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is JYLAWEGJPZVICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-24-19(23-18-7-5-4-6-17(18)21(24)26)12-13-20(25)22-14-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 53159170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).