6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide

C22H25ClF2N2O — CID 118566586

IUPAC6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3CCCC3)ccc12
InChIInChI=1S/C22H25ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h5-8,14-15H,1-4,9-13H2,(H,26,28)
InChIKeyKMZJAZMJHPDDPI-UHFFFAOYSA-N
MW406.90 g/mol
LogP6.10
Rot. Bonds4

About 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide

6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide (PubChem CID 118566586) has the molecular formula C22H25ClF2N2O and a molecular weight of 406.90 g/mol. Its IUPAC name is 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound Name6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
PubChem CID118566586
Molecular FormulaC22H25ClF2N2O
Molecular Weight406.90 g/mol
Exact Mass406.16
IUPAC Name6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3CCCC3)ccc12
InChIInChI=1S/C22H25ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h5-8,14-15H,1-4,9-13H2,(H,26,28)
InChIKeyKMZJAZMJHPDDPI-UHFFFAOYSA-N
XLogP6.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.90
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
2-(3-chlorophenyl)-N-cyclopropyl-3-methyl-4-quinolinecarboxamide
CID 841557
N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
CID 2088463
N-(sec-butyl)-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 6622695
9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873747
2-chloro-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 39902825
N-(4-chlorophenyl)-5,6-dihydrobenzo[c]acridine-7-carboxamide
CID 4402169
2-chloro-N-phenylquinoline-4-carboxamide
CID 764044
9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619646
6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide
CID 11231942
9-chloro-N-[3-(diethylamino)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 16008853
3-Chloro-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
CID 44266632

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
The IUPAC name of 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide (CID 118566586) is 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide is O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3CCCC3)ccc12.
What is the InChIKey of 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
The InChIKey is KMZJAZMJHPDDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h5-8,14-15H,1-4,9-13H2,(H,26,28).
What are the key properties of 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide has a molecular weight of 406.90 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 118566586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).