N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C20H15F3N4O2 — CID 118273488

IUPACN-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESN#CCCCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)14-4-8-18(26-12-14)29-15-5-7-16-13(11-15)3-6-17(27-16)19(28)25-10-2-1-9-24/h3-8,11-12H,1-2,10H2,(H,25,28)
InChIKeyXFAZSMOIOGOBEA-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.47
Rot. Bonds6

About N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273488) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273488
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESN#CCCCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)14-4-8-18(26-12-14)29-15-5-7-16-13(11-15)3-6-17(27-16)19(28)25-10-2-1-9-24/h3-8,11-12H,1-2,10H2,(H,25,28)
InChIKeyXFAZSMOIOGOBEA-UHFFFAOYSA-N
XLogP4.47
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfonylbutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273377
N-[3-(diethylamino)-3-oxopropyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273420
N-[2-(diethylamino)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273392
N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273479
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273384
N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273994
N-(2-hydroxycyclopentyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118295367
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273342
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273326

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273488) is N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is N#CCCCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.
What is the InChIKey of N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is XFAZSMOIOGOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)14-4-8-18(26-12-14)29-15-5-7-16-13(11-15)3-6-17(27-16)19(28)25-10-2-1-9-24/h3-8,11-12H,1-2,10H2,(H,25,28).
What are the key properties of N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).