6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide

C25H16F3N3O3 — CID 118274015

IUPAC6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCc4cccc(OC(F)(F)F)c4)ccc3c2)cc1
InChIInChI=1S/C25H16F3N3O3/c26-25(27,28)34-21-3-1-2-17(12-21)15-30-24(32)23-10-6-18-13-20(9-11-22(18)31-23)33-19-7-4-16(14-29)5-8-19/h1-13H,15H2,(H,30,32)
InChIKeyISYHYBHYIBTOII-UHFFFAOYSA-N
MW463.42 g/mol
LogP5.73
Rot. Bonds6

About 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide

6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 118274015) has the molecular formula C25H16F3N3O3 and a molecular weight of 463.42 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide
PubChem CID118274015
Molecular FormulaC25H16F3N3O3
Molecular Weight463.42 g/mol
Exact Mass463.11
IUPAC Name6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCc4cccc(OC(F)(F)F)c4)ccc3c2)cc1
InChIInChI=1S/C25H16F3N3O3/c26-25(27,28)34-21-3-1-2-17(12-21)15-30-24(32)23-10-6-18-13-20(9-11-22(18)31-23)33-19-7-4-16(14-29)5-8-19/h1-13H,15H2,(H,30,32)
InChIKeyISYHYBHYIBTOII-UHFFFAOYSA-N
XLogP5.73
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 118273540
6-(4-cyanophenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 125488465
6-(4-cyanophenoxy)-N-(4-hydroxy-3-methylbutan-2-yl)quinoline-2-carboxamide
CID 118295303
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
N-[[3-(2-fluorophenoxy)phenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 59192219
N-[[4-(3-methylphenoxy)phenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 59192088
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide?
The IUPAC name of 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide (CID 118274015) is 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)NCc4cccc(OC(F)(F)F)c4)ccc3c2)cc1.
What is the InChIKey of 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide?
The InChIKey is ISYHYBHYIBTOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O3/c26-25(27,28)34-21-3-1-2-17(12-21)15-30-24(32)23-10-6-18-13-20(9-11-22(18)31-23)33-19-7-4-16(14-29)5-8-19/h1-13H,15H2,(H,30,32).
What are the key properties of 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide?
6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 118274015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).