7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

C16H12F3NO2 — CID 91973089

IUPAC7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)c2ccc(O)cc2N1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)10-3-1-2-9(6-10)13-8-15(22)20-14-7-11(21)4-5-12(13)14/h1-7,13,21H,8H2,(H,20,22)
InChIKeyXSWHIGUGLJQECZ-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.89
Rot. Bonds1

About 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 91973089) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID91973089
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)c2ccc(O)cc2N1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)10-3-1-2-9(6-10)13-8-15(22)20-14-7-11(21)4-5-12(13)14/h1-7,13,21H,8H2,(H,20,22)
InChIKeyXSWHIGUGLJQECZ-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 91973089) is 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CC(c2cccc(C(F)(F)F)c2)c2ccc(O)cc2N1.
What is the InChIKey of 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XSWHIGUGLJQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)10-3-1-2-9(6-10)13-8-15(22)20-14-7-11(21)4-5-12(13)14/h1-7,13,21H,8H2,(H,20,22).
What are the key properties of 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 307.27 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 91973089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).