6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide

C17H19ClN2O — CID 11231942

IUPAC6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1c(Cl)ccc2ncccc12
InChIInChI=1S/C17H19ClN2O/c18-14-8-9-15-13(7-4-10-19-15)16(14)17(21)20-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21)
InChIKeyITRDTWBRIGTAOE-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.20
Rot. Bonds3

About 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide

6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide (PubChem CID 11231942) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
PubChem CID11231942
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1c(Cl)ccc2ncccc12
InChIInChI=1S/C17H19ClN2O/c18-14-8-9-15-13(7-4-10-19-15)16(14)17(21)20-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21)
InChIKeyITRDTWBRIGTAOE-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide
CID 121328278
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(pyridin-2-ylmethyl)terephthalamide
CID 50898449
N4-benzyl-2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)terephthalamide
CID 52942245
3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270887
3-amino-2-(3-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031252
2-chloro-N-(quinolin-8-yl)benzamide
CID 792771
4-chloro-N-(quinolin-8-yl)benzamide
CID 836113
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
Dipeptidyl nitrile inhibitor, 16
CID 44224126

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide (CID 11231942) is 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide is O=C(NCC1CCCCC1)c1c(Cl)ccc2ncccc12.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
The InChIKey is ITRDTWBRIGTAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-8-9-15-13(7-4-10-19-15)16(14)17(21)20-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide has a molecular weight of 302.80 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide is sourced from PubChem (CID 11231942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).