3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one

C17H15NO2 — CID 54680870

IUPAC3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C17H15NO2/c1-11-7-8-15-13(9-11)16(19)14(17(20)18-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyMCGZRIAQXGFARU-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.13
Rot. Bonds2

About 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one

3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one (PubChem CID 54680870) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one
PubChem CID54680870
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C17H15NO2/c1-11-7-8-15-13(9-11)16(19)14(17(20)18-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyMCGZRIAQXGFARU-UHFFFAOYSA-N
XLogP3.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one (CID 54680870) is 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1.
What is the InChIKey of 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one?
The InChIKey is MCGZRIAQXGFARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-15-13(9-11)16(19)14(17(20)18-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20).
What are the key properties of 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one?
3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 54680870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).