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

C16H12ClNO2S — CID 54704997

IUPAC7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one
SMILESCc1ccccc1Sc1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H12ClNO2S/c1-9-4-2-3-5-13(9)21-15-14(19)11-7-6-10(17)8-12(11)18-16(15)20/h2-8H,1H3,(H2,18,19,20)
InChIKeyOTWXMQRGEMECIX-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.35
Rot. Bonds2

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

7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one (PubChem CID 54704997) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one
PubChem CID54704997
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC Name7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one
SMILESCc1ccccc1Sc1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H12ClNO2S/c1-9-4-2-3-5-13(9)21-15-14(19)11-7-6-10(17)8-12(11)18-16(15)20/h2-8H,1H3,(H2,18,19,20)
InChIKeyOTWXMQRGEMECIX-UHFFFAOYSA-N
XLogP4.35
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one (CID 54704997) is 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one is Cc1ccccc1Sc1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one?
The InChIKey is OTWXMQRGEMECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/c1-9-4-2-3-5-13(9)21-15-14(19)11-7-6-10(17)8-12(11)18-16(15)20/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one has a molecular weight of 317.80 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one is sourced from PubChem (CID 54704997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).