2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide

C16H17ClN2O2 — CID 62517076

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H17ClN2O2/c17-14-9-12(11-5-1-2-6-13(11)18-14)15(21)19-16(10-20)7-3-4-8-16/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,19,21)
InChIKeyYVCGZVKYBBRVND-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide

2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide (PubChem CID 62517076) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
PubChem CID62517076
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H17ClN2O2/c17-14-9-12(11-5-1-2-6-13(11)18-14)15(21)19-16(10-20)7-3-4-8-16/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,19,21)
InChIKeyYVCGZVKYBBRVND-UHFFFAOYSA-N
XLogP2.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-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

2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
CID 115769318
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80524297
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
CID 79099972
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide (CID 62517076) is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide is O=C(NC1(CO)CCCC1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide?
The InChIKey is YVCGZVKYBBRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-9-12(11-5-1-2-6-13(11)18-14)15(21)19-16(10-20)7-3-4-8-16/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,19,21).
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide?
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide is sourced from PubChem (CID 62517076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).