N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide

C22H14F3N3O2 — CID 70852951

IUPACN-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2cccc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)30-17-7-1-5-15(12-17)18-8-2-4-14-9-10-19(28-20(14)18)21(29)27-16-6-3-11-26-13-16/h1-13H,(H,27,29)
InChIKeyBWLPPIQOZYWFMW-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.45
Rot. Bonds4

About N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide

N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide (PubChem CID 70852951) has the molecular formula C22H14F3N3O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
PubChem CID70852951
Molecular FormulaC22H14F3N3O2
Molecular Weight409.37 g/mol
Exact Mass409.10
IUPAC NameN-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2cccc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)30-17-7-1-5-15(12-17)18-8-2-4-14-9-10-19(28-20(14)18)21(29)27-16-6-3-11-26-13-16/h1-13H,(H,27,29)
InChIKeyBWLPPIQOZYWFMW-UHFFFAOYSA-N
XLogP5.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyrrolidin-1-ylmethyl)phenyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70853124
8-(2-fluorophenyl)-N-pyridin-3-ylquinoline-2-carboxamide
CID 70853134
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
8-[3-(difluoromethyl)phenyl]-N-pyrimidin-4-ylquinoline-2-carboxamide
CID 70852962
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70852931
8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 70853145
N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853123
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide (CID 70852951) is N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide is O=C(Nc1cccnc1)c1ccc2cccc(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The InChIKey is BWLPPIQOZYWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2/c23-22(24,25)30-17-7-1-5-15(12-17)18-8-2-4-14-9-10-19(28-20(14)18)21(29)27-16-6-3-11-26-13-16/h1-13H,(H,27,29).
What are the key properties of N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 70852951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).