4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one

C17H12F3NO2 — CID 157261147

IUPAC4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one
SMILESO=c1cc(O)c2cc(Cc3cccc(C(F)(F)F)c3)ccc2[nH]1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)12-3-1-2-10(7-12)6-11-4-5-14-13(8-11)15(22)9-16(23)21-14/h1-5,7-9H,6H2,(H2,21,22,23)
InChIKeyAXLVMFHDMVPNFU-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.84
Rot. Bonds2

About 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one

4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one (PubChem CID 157261147) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one
PubChem CID157261147
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one
SMILESO=c1cc(O)c2cc(Cc3cccc(C(F)(F)F)c3)ccc2[nH]1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)12-3-1-2-10(7-12)6-11-4-5-14-13(8-11)15(22)9-16(23)21-14/h1-5,7-9H,6H2,(H2,21,22,23)
InChIKeyAXLVMFHDMVPNFU-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one (CID 157261147) is 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one is O=c1cc(O)c2cc(Cc3cccc(C(F)(F)F)c3)ccc2[nH]1.
What is the InChIKey of 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one?
The InChIKey is AXLVMFHDMVPNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)12-3-1-2-10(7-12)6-11-4-5-14-13(8-11)15(22)9-16(23)21-14/h1-5,7-9H,6H2,(H2,21,22,23).
What are the key properties of 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one?
4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one has a molecular weight of 319.28 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 157261147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).