6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide

C19H14F4N2O2 — CID 176916401

IUPAC6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
SMILESO=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(F)cc2cccnc12
InChIInChI=1S/C19H14F4N2O2/c20-14-8-12-2-1-7-24-17(12)15(9-14)18(27)25-16(10-26)11-3-5-13(6-4-11)19(21,22)23/h1-9,16,26H,10H2,(H,25,27)
InChIKeyLRQSFSFBLDPYFX-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.86
Rot. Bonds4

About 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide

6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide (PubChem CID 176916401) has the molecular formula C19H14F4N2O2 and a molecular weight of 378.33 g/mol. Its IUPAC name is 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
PubChem CID176916401
Molecular FormulaC19H14F4N2O2
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
SMILESO=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(F)cc2cccnc12
InChIInChI=1S/C19H14F4N2O2/c20-14-8-12-2-1-7-24-17(12)15(9-14)18(27)25-16(10-26)11-3-5-13(6-4-11)19(21,22)23/h1-9,16,26H,10H2,(H,25,27)
InChIKeyLRQSFSFBLDPYFX-UHFFFAOYSA-N
XLogP3.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide
CID 74245074
6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
CID 84597493
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
6-(trifluoromethyl)quinoline-8-carboxylic acid
CID 129318996
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 46869838
N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,6-naphthyridine-8-carboxamide
CID 121361561
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide
CID 130318469
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide (CID 176916401) is 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide is O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(F)cc2cccnc12.
What is the InChIKey of 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide?
The InChIKey is LRQSFSFBLDPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2/c20-14-8-12-2-1-7-24-17(12)15(9-14)18(27)25-16(10-26)11-3-5-13(6-4-11)19(21,22)23/h1-9,16,26H,10H2,(H,25,27).
What are the key properties of 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide?
6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide has a molecular weight of 378.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 176916401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).