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

C27H23F3N4O — CID 58154750

IUPACN-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C27H23F3N4O/c28-27(29,30)20-8-3-7-19(16-20)23-13-12-18-6-4-10-22(25(18)32-23)26(35)33-24-11-5-9-21(31-24)17-34-14-1-2-15-34/h3-13,16H,1-2,14-15,17H2,(H,31,33,35)
InChIKeyGDJOLZWZVKJJSH-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.16
Rot. Bonds5

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

N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide (PubChem CID 58154750) has the molecular formula C27H23F3N4O and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
PubChem CID58154750
Molecular FormulaC27H23F3N4O
Molecular Weight476.50 g/mol
Exact Mass476.18
IUPAC NameN-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C27H23F3N4O/c28-27(29,30)20-8-3-7-19(16-20)23-13-12-18-6-4-10-22(25(18)32-23)26(35)33-24-11-5-9-21(31-24)17-34-14-1-2-15-34/h3-13,16H,1-2,14-15,17H2,(H,31,33,35)
InChIKeyGDJOLZWZVKJJSH-UHFFFAOYSA-N
XLogP6.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154715
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 66883790
N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154617
N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853301
2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
CID 58154511
8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
CID 58154748
N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279080
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]quinoline-8-carboxamide
CID 162140277

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide (CID 58154750) is N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is GDJOLZWZVKJJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O/c28-27(29,30)20-8-3-7-19(16-20)23-13-12-18-6-4-10-22(25(18)32-23)26(35)33-24-11-5-9-21(31-24)17-34-14-1-2-15-34/h3-13,16H,1-2,14-15,17H2,(H,31,33,35).
What are the key properties of N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 58154750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).