8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide

C24H24F2N2O3 — CID 118870249

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCC1(O)CCCC1)c1ccnc2c(OCc3c(F)cccc3F)cccc12
InChIInChI=1S/C24H24F2N2O3/c25-19-6-4-7-20(26)18(19)15-31-21-8-3-5-16-17(9-13-27-22(16)21)23(29)28-14-12-24(30)10-1-2-11-24/h3-9,13,30H,1-2,10-12,14-15H2,(H,28,29)
InChIKeyLLTFVIJIGUBCFZ-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.52
Rot. Bonds7

About 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide (PubChem CID 118870249) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide
PubChem CID118870249
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCC1(O)CCCC1)c1ccnc2c(OCc3c(F)cccc3F)cccc12
InChIInChI=1S/C24H24F2N2O3/c25-19-6-4-7-20(26)18(19)15-31-21-8-3-5-16-17(9-13-27-22(16)21)23(29)28-14-12-24(30)10-1-2-11-24/h3-9,13,30H,1-2,10-12,14-15H2,(H,28,29)
InChIKeyLLTFVIJIGUBCFZ-UHFFFAOYSA-N
XLogP4.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide (CID 118870249) is 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide is O=C(NCCC1(O)CCCC1)c1ccnc2c(OCc3c(F)cccc3F)cccc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide?
The InChIKey is LLTFVIJIGUBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c25-19-6-4-7-20(26)18(19)15-31-21-8-3-5-16-17(9-13-27-22(16)21)23(29)28-14-12-24(30)10-1-2-11-24/h3-9,13,30H,1-2,10-12,14-15H2,(H,28,29).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 118870249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).