2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one

C16H13NO2 — CID 10658383

IUPAC2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1
InChIInChI=1S/C16H13NO2/c1-10-2-7-14-13(8-10)16(19)9-15(17-14)11-3-5-12(18)6-4-11/h2-9,18H,1H3,(H,17,19)
InChIKeyCPOLHRAWAFOTHL-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.21
Rot. Bonds1

About 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one

2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one (PubChem CID 10658383) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
PubChem CID10658383
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1
InChIInChI=1S/C16H13NO2/c1-10-2-7-14-13(8-10)16(19)9-15(17-14)11-3-5-12(18)6-4-11/h2-9,18H,1H3,(H,17,19)
InChIKeyCPOLHRAWAFOTHL-UHFFFAOYSA-N
XLogP3.21
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one (CID 10658383) is 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one?
The InChIKey is CPOLHRAWAFOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-2-7-14-13(8-10)16(19)9-15(17-14)11-3-5-12(18)6-4-11/h2-9,18H,1H3,(H,17,19).
What are the key properties of 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one?
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one has a molecular weight of 251.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 10658383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).