6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one

C17H12F3NO2 — CID 67155551

IUPAC6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3ccc(CO)cc3)ccc2[nH]1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)14-8-16(23)21-15-6-5-12(7-13(14)15)11-3-1-10(9-22)2-4-11/h1-8,22H,9H2,(H,21,23)
InChIKeyFJIIBQXRVFHKOV-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.71
Rot. Bonds2

About 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 67155551) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID67155551
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3ccc(CO)cc3)ccc2[nH]1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)14-8-16(23)21-15-6-5-12(7-13(14)15)11-3-1-10(9-22)2-4-11/h1-8,22H,9H2,(H,21,23)
InChIKeyFJIIBQXRVFHKOV-UHFFFAOYSA-N
XLogP3.71
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-but-2-enoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10318275
(E)-3-[4-[3-(hydroxymethyl)phenyl]-3-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 142412555
(E)-3-[5-[3-(hydroxymethyl)phenyl]-2-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 142412611
4-hydroxy-6-methyl-3-phenyl-1H-quinolin-2-one
CID 54676589
(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide
CID 10068147
4-Hydroxy-6-methyl-3-benzylhydroquinolin-2-one
CID 54680870
3-benzyl-6-ethyl-4-hydroxy-2(1H)-quinolinone
CID 54693805
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]hexanamide
CID 130262004
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]pentanamide
CID 130262014
CID 130262024
CID 130262024
6-ethyl-4-hydroxy-3-phenyl-2(1H)-quinolinone
CID 54679018
4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one
CID 72545559

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 67155551) is 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(-c3ccc(CO)cc3)ccc2[nH]1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is FJIIBQXRVFHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)14-8-16(23)21-15-6-5-12(7-13(14)15)11-3-1-10(9-22)2-4-11/h1-8,22H,9H2,(H,21,23).
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 319.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 67155551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).