4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide

C16H17ClN2O — CID 63376122

IUPAC4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
SMILESO=C(NCC1CCCC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H17ClN2O/c17-13-9-15(19-14-8-4-3-7-12(13)14)16(20)18-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,18,20)
InChIKeyXLKWMLJWACNZMA-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide

4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide (PubChem CID 63376122) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
PubChem CID63376122
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
SMILESO=C(NCC1CCCC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H17ClN2O/c17-13-9-15(19-14-8-4-3-7-12(13)14)16(20)18-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,18,20)
InChIKeyXLKWMLJWACNZMA-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(cyclopentylmethyl)quinoline-2-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

cyclopentylmethyl 4-chloroquinoline-2-carboxylate
CID 66323375
cyclopropylmethyl 4-chloroquinoline-2-carboxylate
CID 63839858
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375737
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide (CID 63376122) is 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide is O=C(NCC1CCCC1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide?
The InChIKey is XLKWMLJWACNZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-13-9-15(19-14-8-4-3-7-12(13)14)16(20)18-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,18,20).
What are the key properties of 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide?
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 63376122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).