2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

C21H19F3N2O — CID 55661695

IUPAC2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H19F3N2O/c1-2-12-26(14-21(22,23)24)20(27)17-13-19(15-8-4-3-5-9-15)25-18-11-7-6-10-16(17)18/h3-11,13H,2,12,14H2,1H3
InChIKeyRBNUSWJYXHFJHE-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.32
Rot. Bonds5

About 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (PubChem CID 55661695) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
PubChem CID55661695
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H19F3N2O/c1-2-12-26(14-21(22,23)24)20(27)17-13-19(15-8-4-3-5-9-15)25-18-11-7-6-10-16(17)18/h3-11,13H,2,12,14H2,1H3
InChIKeyRBNUSWJYXHFJHE-UHFFFAOYSA-N
XLogP5.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide
CID 10311421
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide
CID 10310871
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4522233

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (CID 55661695) is 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The InChIKey is RBNUSWJYXHFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-2-12-26(14-21(22,23)24)20(27)17-13-19(15-8-4-3-5-9-15)25-18-11-7-6-10-16(17)18/h3-11,13H,2,12,14H2,1H3.
What are the key properties of 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is sourced from PubChem (CID 55661695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).