N-butyl-2-chloroquinoline-4-carboxamide

C14H15ClN2O — CID 14813194

IUPACN-butyl-2-chloroquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O/c1-2-3-8-16-14(18)11-9-13(15)17-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyWMNJHBOMJHNJJW-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.42
Rot. Bonds4

About N-butyl-2-chloroquinoline-4-carboxamide

N-butyl-2-chloroquinoline-4-carboxamide (PubChem CID 14813194) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-butyl-2-chloroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloroquinoline-4-carboxamide
PubChem CID14813194
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-butyl-2-chloroquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O/c1-2-3-8-16-14(18)11-9-13(15)17-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyWMNJHBOMJHNJJW-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-butyl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4053177
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
N-butyl-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123222
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloroquinoline-4-carboxamide?
The IUPAC name of N-butyl-2-chloroquinoline-4-carboxamide (CID 14813194) is N-butyl-2-chloroquinoline-4-carboxamide.
What is the SMILES notation for N-butyl-2-chloroquinoline-4-carboxamide?
The canonical SMILES for N-butyl-2-chloroquinoline-4-carboxamide is CCCCNC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of N-butyl-2-chloroquinoline-4-carboxamide?
The InChIKey is WMNJHBOMJHNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-3-8-16-14(18)11-9-13(15)17-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-chloroquinoline-4-carboxamide?
N-butyl-2-chloroquinoline-4-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloroquinoline-4-carboxamide is sourced from PubChem (CID 14813194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).