3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one

C18H14F3NO3 — CID 166884556

IUPAC3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc(C(F)(F)F)cc2c(-c3ccccc3C)c(O)c(=O)[nH]c12
InChIInChI=1S/C18H14F3NO3/c1-9-5-3-4-6-11(9)14-12-7-10(18(19,20)21)8-13(25-2)15(12)22-17(24)16(14)23/h3-8,23H,1-2H3,(H,22,24)
InChIKeyQRBRDSKRILXYBE-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.24
Rot. Bonds2

About 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one

3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 166884556) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID166884556
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc(C(F)(F)F)cc2c(-c3ccccc3C)c(O)c(=O)[nH]c12
InChIInChI=1S/C18H14F3NO3/c1-9-5-3-4-6-11(9)14-12-7-10(18(19,20)21)8-13(25-2)15(12)22-17(24)16(14)23/h3-8,23H,1-2H3,(H,22,24)
InChIKeyQRBRDSKRILXYBE-UHFFFAOYSA-N
XLogP4.24
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one (CID 166884556) is 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one is COc1cc(C(F)(F)F)cc2c(-c3ccccc3C)c(O)c(=O)[nH]c12.
What is the InChIKey of 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is QRBRDSKRILXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-9-5-3-4-6-11(9)14-12-7-10(18(19,20)21)8-13(25-2)15(12)22-17(24)16(14)23/h3-8,23H,1-2H3,(H,22,24).
What are the key properties of 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 349.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-methoxy-4-(2-methylphenyl)-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 166884556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).