2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide

C15H17ClN2O2 — CID 107317154

IUPAC2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
SMILESO=C(NCCCCCO)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H17ClN2O2/c16-14-10-12(11-6-2-3-7-13(11)18-14)15(20)17-8-4-1-5-9-19/h2-3,6-7,10,19H,1,4-5,8-9H2,(H,17,20)
InChIKeyAODYKPVKAWUPHR-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.78
Rot. Bonds6

About 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide

2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide (PubChem CID 107317154) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
PubChem CID107317154
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
SMILESO=C(NCCCCCO)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H17ClN2O2/c16-14-10-12(11-6-2-3-7-13(11)18-14)15(20)17-8-4-1-5-9-19/h2-3,6-7,10,19H,1,4-5,8-9H2,(H,17,20)
InChIKeyAODYKPVKAWUPHR-UHFFFAOYSA-N
XLogP2.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
CID 79099972
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide (CID 107317154) is 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide is O=C(NCCCCCO)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide?
The InChIKey is AODYKPVKAWUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-14-10-12(11-6-2-3-7-13(11)18-14)15(20)17-8-4-1-5-9-19/h2-3,6-7,10,19H,1,4-5,8-9H2,(H,17,20).
What are the key properties of 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide?
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide is sourced from PubChem (CID 107317154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).