N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

C26H21F3N4O — CID 70853301

IUPACN-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)n1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C26H21F3N4O/c27-26(28,29)19-8-3-7-18(16-19)20-9-4-6-17-12-13-21(30-24(17)20)25(34)32-22-10-5-11-23(31-22)33-14-1-2-15-33/h3-13,16H,1-2,14-15H2,(H,31,32,34)
InChIKeyBBLCCVAIUQUFJF-UHFFFAOYSA-N
MW462.48 g/mol
LogP6.17
Rot. Bonds4

About N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (PubChem CID 70853301) has the molecular formula C26H21F3N4O and a molecular weight of 462.48 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
PubChem CID70853301
Molecular FormulaC26H21F3N4O
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC NameN-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)n1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C26H21F3N4O/c27-26(28,29)19-8-3-7-18(16-19)20-9-4-6-17-12-13-21(30-24(17)20)25(34)32-22-10-5-11-23(31-22)33-14-1-2-15-33/h3-13,16H,1-2,14-15H2,(H,31,32,34)
InChIKeyBBLCCVAIUQUFJF-UHFFFAOYSA-N
XLogP6.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853123
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853158
N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154750
N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70852931
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70853124
8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 70853145
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
N-(5-methyl-1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 89033838
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-[[8-[3-(trifluoromethyl)phenyl]quinolin-2-yl]methyl]pyrazin-2-amine
CID 70852923

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (CID 70853301) is N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1cccc(N2CCCC2)n1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is BBLCCVAIUQUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O/c27-26(28,29)19-8-3-7-18(16-19)20-9-4-6-17-12-13-21(30-24(17)20)25(34)32-22-10-5-11-23(31-22)33-14-1-2-15-33/h3-13,16H,1-2,14-15H2,(H,31,32,34).
What are the key properties of N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).