7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one

C16H12ClNO2 — CID 54680418

IUPAC7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one
SMILESCc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C16H12ClNO2/c1-9-3-2-4-10(7-9)14-15(19)12-6-5-11(17)8-13(12)18-16(14)20/h2-8H,1H3,(H2,18,19,20)
InChIKeyOWSFLWNWHDOIEM-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.86
Rot. Bonds1

About 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one (PubChem CID 54680418) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one
PubChem CID54680418
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one
SMILESCc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C16H12ClNO2/c1-9-3-2-4-10(7-9)14-15(19)12-6-5-11(17)8-13(12)18-16(14)20/h2-8H,1H3,(H2,18,19,20)
InChIKeyOWSFLWNWHDOIEM-UHFFFAOYSA-N
XLogP3.86
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one (CID 54680418) is 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one is Cc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one?
The InChIKey is OWSFLWNWHDOIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-9-3-2-4-10(7-9)14-15(19)12-6-5-11(17)8-13(12)18-16(14)20/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one has a molecular weight of 285.73 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(3-methylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).