7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one

C16H11Cl2NO2 — CID 123738317

IUPAC7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1cc2c(O)c(-c3cccc(Cl)c3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C16H11Cl2NO2/c1-8-5-11-13(7-12(8)18)19-16(21)14(15(11)20)9-3-2-4-10(17)6-9/h2-7H,1H3,(H2,19,20,21)
InChIKeyROOAUPAEJFMQSA-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.52
Rot. Bonds1

About 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one

7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one (PubChem CID 123738317) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
PubChem CID123738317
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1cc2c(O)c(-c3cccc(Cl)c3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C16H11Cl2NO2/c1-8-5-11-13(7-12(8)18)19-16(21)14(15(11)20)9-3-2-4-10(17)6-9/h2-7H,1H3,(H2,19,20,21)
InChIKeyROOAUPAEJFMQSA-UHFFFAOYSA-N
XLogP4.52
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one (CID 123738317) is 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one is Cc1cc2c(O)c(-c3cccc(Cl)c3)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
The InChIKey is ROOAUPAEJFMQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-8-5-11-13(7-12(8)18)19-16(21)14(15(11)20)9-3-2-4-10(17)6-9/h2-7H,1H3,(H2,19,20,21).
What are the key properties of 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one has a molecular weight of 320.18 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-chlorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 123738317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).