2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide

C20H22ClN3O — CID 141107223

IUPAC2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3C=CC3)ccc12
InChIInChI=1S/C20H22ClN3O/c21-16-8-9-17-15(7-10-18(23-17)24-11-4-12-24)19(16)20(25)22-13-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12-13H2,(H,22,25)
InChIKeyMRLJZWBPTFXVOE-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.53
Rot. Bonds4

About 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide

2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide (PubChem CID 141107223) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide.

Molecular Properties

Compound Name2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
PubChem CID141107223
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
SMILESO=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3C=CC3)ccc12
InChIInChI=1S/C20H22ClN3O/c21-16-8-9-17-15(7-10-18(23-17)24-11-4-12-24)19(16)20(25)22-13-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12-13H2,(H,22,25)
InChIKeyMRLJZWBPTFXVOE-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate
CID 68809358
6-chloro-N-(cyclohexylmethyl)-2-[(3S)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]quinoline-5-carboxamide;hydrochloride
CID 68809668
6-chloro-N-(cyclohexylmethyl)-2-[3-(2H-tetrazol-5-yl)azetidin-1-yl]quinoline-5-carboxamide
CID 11750655
6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
CID 144973424
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-5-carboxamide
CID 118566547
6-chloro-2-[4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-methylcyclohexyl)methyl]quinoline-5-carboxamide
CID 144973451
6-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[(3-methylcyclohexyl)methyl]quinoline-5-carboxamide
CID 144973429
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-(3-oxocyclopentyl)quinoline-5-carboxamide
CID 118569626
6-chloro-N-(2-cyclohexylethyl)quinoline-5-carboxamide;6-chloroquinoline-5-carboxylic acid
CID 158272929
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
CID 118556113

Frequently Asked Questions

What is the IUPAC name of 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
The IUPAC name of 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide (CID 141107223) is 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide.
What is the SMILES notation for 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
The canonical SMILES for 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide is O=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3C=CC3)ccc12.
What is the InChIKey of 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
The InChIKey is MRLJZWBPTFXVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-16-8-9-17-15(7-10-18(23-17)24-11-4-12-24)19(16)20(25)22-13-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12-13H2,(H,22,25).
What are the key properties of 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide?
2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-azet-1-yl)-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide is sourced from PubChem (CID 141107223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).