5-chloro-N-cyclohexylquinoline-8-carboxamide

C16H17ClN2O — CID 37248042

IUPAC5-chloro-N-cyclohexylquinoline-8-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H17ClN2O/c17-14-9-8-13(15-12(14)7-4-10-18-15)16(20)19-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,19,20)
InChIKeyZMMLTNKDNOGDLS-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.95
Rot. Bonds2

About 5-chloro-N-cyclohexylquinoline-8-carboxamide

5-chloro-N-cyclohexylquinoline-8-carboxamide (PubChem CID 37248042) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-N-cyclohexylquinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexylquinoline-8-carboxamide
PubChem CID37248042
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-chloro-N-cyclohexylquinoline-8-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H17ClN2O/c17-14-9-8-13(15-12(14)7-4-10-18-15)16(20)19-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,19,20)
InChIKeyZMMLTNKDNOGDLS-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(3S)-1,1-dioxothian-3-yl]quinoline-8-carboxamide
CID 96547534
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
CID 119458232
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
2-chloro-N-cyclopentylbenzamide
CID 669043
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 55905622
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
CID 171343179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexylquinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-cyclohexylquinoline-8-carboxamide (CID 37248042) is 5-chloro-N-cyclohexylquinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclohexylquinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-cyclohexylquinoline-8-carboxamide is O=C(NC1CCCCC1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-cyclohexylquinoline-8-carboxamide?
The InChIKey is ZMMLTNKDNOGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-9-8-13(15-12(14)7-4-10-18-15)16(20)19-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,19,20).
What are the key properties of 5-chloro-N-cyclohexylquinoline-8-carboxamide?
5-chloro-N-cyclohexylquinoline-8-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexylquinoline-8-carboxamide is sourced from PubChem (CID 37248042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).