N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide

C21H23N3O2 — CID 40795210

IUPACN-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C21H23N3O2/c1-14(25)22-16-12-10-15(11-13-16)20-23-19-9-5-4-8-18(19)21(26)24(20)17-6-2-3-7-17/h4-5,8-13,17,20,23H,2-3,6-7H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyRHDDWDBLJWVMKQ-FQEVSTJZSA-N
MW349.43 g/mol
LogP4.15
Rot. Bonds3

About N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide

N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (PubChem CID 40795210) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
PubChem CID40795210
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C21H23N3O2/c1-14(25)22-16-12-10-15(11-13-16)20-23-19-9-5-4-8-18(19)21(26)24(20)17-6-2-3-7-17/h4-5,8-13,17,20,23H,2-3,6-7H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyRHDDWDBLJWVMKQ-FQEVSTJZSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide 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-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
N-[4-[(2R)-2-(4-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064297
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 2174419
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 52899449
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (CID 40795210) is N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1.
What is the InChIKey of N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The InChIKey is RHDDWDBLJWVMKQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(25)22-16-12-10-15(11-13-16)20-23-19-9-5-4-8-18(19)21(26)24(20)17-6-2-3-7-17/h4-5,8-13,17,20,23H,2-3,6-7H2,1H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 40795210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).