4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one

C19H19NO2 — CID 54694329

IUPAC4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one
SMILESCc1cc(C)c(-c2c(O)c3ccccc3n(C)c2=O)c(C)c1
InChIInChI=1S/C19H19NO2/c1-11-9-12(2)16(13(3)10-11)17-18(21)14-7-5-6-8-15(14)20(4)19(17)22/h5-10,21H,1-4H3
InChIKeyLEIAVWWANCNTJJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.84
Rot. Bonds1

About 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one

4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one (PubChem CID 54694329) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one
PubChem CID54694329
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one
SMILESCc1cc(C)c(-c2c(O)c3ccccc3n(C)c2=O)c(C)c1
InChIInChI=1S/C19H19NO2/c1-11-9-12(2)16(13(3)10-11)17-18(21)14-7-5-6-8-15(14)20(4)19(17)22/h5-10,21H,1-4H3
InChIKeyLEIAVWWANCNTJJ-UHFFFAOYSA-N
XLogP3.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one (CID 54694329) is 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one is Cc1cc(C)c(-c2c(O)c3ccccc3n(C)c2=O)c(C)c1.
What is the InChIKey of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one?
The InChIKey is LEIAVWWANCNTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-9-12(2)16(13(3)10-11)17-18(21)14-7-5-6-8-15(14)20(4)19(17)22/h5-10,21H,1-4H3.
What are the key properties of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one?
4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one is sourced from PubChem (CID 54694329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).