8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide

C24H25F2N3O2 — CID 166552626

IUPAC8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
SMILESCC(NC(=O)c1cnc2c(OCC3CCC(F)(F)CC3)cccc2c1)c1ccccn1
InChIInChI=1S/C24H25F2N3O2/c1-16(20-6-2-3-12-27-20)29-23(30)19-13-18-5-4-7-21(22(18)28-14-19)31-15-17-8-10-24(25,26)11-9-17/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,29,30)
InChIKeyDXWFUHCPUHACLR-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.33
Rot. Bonds6

About 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide

8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide (PubChem CID 166552626) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
PubChem CID166552626
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
SMILESCC(NC(=O)c1cnc2c(OCC3CCC(F)(F)CC3)cccc2c1)c1ccccn1
InChIInChI=1S/C24H25F2N3O2/c1-16(20-6-2-3-12-27-20)29-23(30)19-13-18-5-4-7-21(22(18)28-14-19)31-15-17-8-10-24(25,26)11-9-17/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,29,30)
InChIKeyDXWFUHCPUHACLR-UHFFFAOYSA-N
XLogP5.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide (CID 166552626) is 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide is CC(NC(=O)c1cnc2c(OCC3CCC(F)(F)CC3)cccc2c1)c1ccccn1.
What is the InChIKey of 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide?
The InChIKey is DXWFUHCPUHACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c1-16(20-6-2-3-12-27-20)29-23(30)19-13-18-5-4-7-21(22(18)28-14-19)31-15-17-8-10-24(25,26)11-9-17/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,29,30).
What are the key properties of 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide?
8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,4-difluorocyclohexyl)methoxy]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 166552626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).