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6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide

C22H23ClF2N2O — CID 118566572

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3=CCCC3)ccc12
InChIInChI=1S/C22H23ClF2N2O/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/h3,5-8,14H,1-2,4,9-13H2,(H,26,28)
InChIKeyLJKPLYHODNXCAL-UHFFFAOYSA-N
MW404.89 g/mol
LogP6.01
Rot. Bonds4

About 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide

6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide (PubChem CID 118566572) has the molecular formula C22H23ClF2N2O and a molecular weight of 404.89 g/mol. Its IUPAC name is 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
PubChem CID118566572
Molecular FormulaC22H23ClF2N2O
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3=CCCC3)ccc12
InChIInChI=1S/C22H23ClF2N2O/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/h3,5-8,14H,1-2,4,9-13H2,(H,26,28)
InChIKeyLJKPLYHODNXCAL-UHFFFAOYSA-N
XLogP6.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.89
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
The IUPAC name of 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide (CID 118566572) is 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide is O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3=CCCC3)ccc12.
What is the InChIKey of 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
The InChIKey is LJKPLYHODNXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N2O/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/h3,5-8,14H,1-2,4,9-13H2,(H,26,28).
What are the key properties of 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide?
6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide has a molecular weight of 404.89 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(cyclopenten-1-yl)-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 118566572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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