N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C22H19F4N3O2 — CID 118273964

IUPACN-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C22H19F4N3O2/c23-20(24)14-2-6-19(27-12-14)31-16-3-5-17-13(11-16)1-4-18(29-17)21(30)28-15-7-9-22(25,26)10-8-15/h1-6,11-12,15,20H,7-10H2,(H,28,30)
InChIKeyIQZQIALEVIEWMF-UHFFFAOYSA-N
MW433.41 g/mol
LogP5.67
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273964) has the molecular formula C22H19F4N3O2 and a molecular weight of 433.41 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273964
Molecular FormulaC22H19F4N3O2
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC NameN-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C22H19F4N3O2/c23-20(24)14-2-6-19(27-12-14)31-16-3-5-17-13(11-16)1-4-18(29-17)21(30)28-15-7-9-22(25,26)10-8-15/h1-6,11-12,15,20H,7-10H2,(H,28,30)
InChIKeyIQZQIALEVIEWMF-UHFFFAOYSA-N
XLogP5.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide
CID 118273912
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 118273829
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide
CID 118273448
4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one
CID 118273408
N-(2-hydroxycyclopentyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118295367
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-[(3R)-3-(hydroxymethyl)piperazin-1-yl]methanone
CID 118274039
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 141469337
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273342
N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273994
tert-butyl (2S)-4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-2-(methoxymethyl)piperazine-1-carboxylate
CID 140682431
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273326
N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273479

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273964) is N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is O=C(NC1CCC(F)(F)CC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is IQZQIALEVIEWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2/c23-20(24)14-2-6-19(27-12-14)31-16-3-5-17-13(11-16)1-4-18(29-17)21(30)28-15-7-9-22(25,26)10-8-15/h1-6,11-12,15,20H,7-10H2,(H,28,30).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).