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

C21H18F3N3O — CID 66883790

IUPACN-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(NC1CCNC1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)15-5-1-4-14(11-15)18-8-7-13-3-2-6-17(19(13)27-18)20(28)26-16-9-10-25-12-16/h1-8,11,16,25H,9-10,12H2,(H,26,28)
InChIKeyNENNUZWUHCVECE-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.01
Rot. Bonds3

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

N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide (PubChem CID 66883790) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
PubChem CID66883790
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(NC1CCNC1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)15-5-1-4-14(11-15)18-8-7-13-3-2-6-17(19(13)27-18)20(28)26-16-9-10-25-12-16/h1-8,11,16,25H,9-10,12H2,(H,26,28)
InChIKeyNENNUZWUHCVECE-UHFFFAOYSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-pyrrolidin-3-yl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119451225
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154750
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2-methyl-6-phenyl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426479
N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154617
N-cyclopropyl-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788054
3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 10281865
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide (CID 66883790) is N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide is O=C(NC1CCNC1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is NENNUZWUHCVECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)15-5-1-4-14(11-15)18-8-7-13-3-2-6-17(19(13)27-18)20(28)26-16-9-10-25-12-16/h1-8,11,16,25H,9-10,12H2,(H,26,28).
What are the key properties of N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 66883790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).