N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide

C20H21ClN4O2 — CID 110640806

IUPACN-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
SMILESO=C1CCc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C20H21ClN4O2/c21-15-2-1-3-16(13-15)22-20(27)25-10-8-24(9-11-25)17-5-6-18-14(12-17)4-7-19(26)23-18/h1-3,5-6,12-13H,4,7-11H2,(H,22,27)(H,23,26)
InChIKeyCWLGMEOOXPWGLU-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.58
Rot. Bonds2

About N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide (PubChem CID 110640806) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
PubChem CID110640806
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
SMILESO=C1CCc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C20H21ClN4O2/c21-15-2-1-3-16(13-15)22-20(27)25-10-8-24(9-11-25)17-5-6-18-14(12-17)4-7-19(26)23-18/h1-3,5-6,12-13H,4,7-11H2,(H,22,27)(H,23,26)
InChIKeyCWLGMEOOXPWGLU-UHFFFAOYSA-N
XLogP3.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide 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

6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110414498
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640813
N-(3-chlorophenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768484
N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
CID 110361358
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 54568797
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide (CID 110640806) is N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide is O=C1CCc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ccc2N1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
The InChIKey is CWLGMEOOXPWGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-15-2-1-3-16(13-15)22-20(27)25-10-8-24(9-11-25)17-5-6-18-14(12-17)4-7-19(26)23-18/h1-3,5-6,12-13H,4,7-11H2,(H,22,27)(H,23,26).
What are the key properties of N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110640806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).