4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide

C22H23ClN4O — CID 113110970

IUPAC4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H23ClN4O/c23-19-7-1-4-17(16-19)9-11-26-12-14-27(15-13-26)22(28)25-20-8-2-5-18-6-3-10-24-21(18)20/h1-8,10,16H,9,11-15H2,(H,25,28)
InChIKeyPJLGUZDFCVBUGY-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.28
Rot. Bonds4

About 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide

4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113110970) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113110970
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H23ClN4O/c23-19-7-1-4-17(16-19)9-11-26-12-14-27(15-13-26)22(28)25-20-8-2-5-18-6-3-10-24-21(18)20/h1-8,10,16H,9,11-15H2,(H,25,28)
InChIKeyPJLGUZDFCVBUGY-UHFFFAOYSA-N
XLogP4.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-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

4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113110975
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-N'-quinolin-8-ylpropanediamide
CID 108966983
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide (CID 113110970) is 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide is O=C(Nc1cccc2cccnc12)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is PJLGUZDFCVBUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-19-7-1-4-17(16-19)9-11-26-12-14-27(15-13-26)22(28)25-20-8-2-5-18-6-3-10-24-21(18)20/h1-8,10,16H,9,11-15H2,(H,25,28).
What are the key properties of 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113110970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).