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

C15H9BrClNO2S — CID 54704975

IUPAC3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1Sc1ccc(Br)cc1
InChIInChI=1S/C15H9BrClNO2S/c16-8-1-4-10(5-2-8)21-14-13(19)11-6-3-9(17)7-12(11)18-15(14)20/h1-7H,(H2,18,19,20)
InChIKeyRFLUHHJMZKKCFX-UHFFFAOYSA-N
MW382.67 g/mol
LogP4.80
Rot. Bonds2

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

3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54704975) has the molecular formula C15H9BrClNO2S and a molecular weight of 382.67 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one
PubChem CID54704975
Molecular FormulaC15H9BrClNO2S
Molecular Weight382.67 g/mol
Exact Mass380.92
IUPAC Name3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1Sc1ccc(Br)cc1
InChIInChI=1S/C15H9BrClNO2S/c16-8-1-4-10(5-2-8)21-14-13(19)11-6-3-9(17)7-12(11)18-15(14)20/h1-7H,(H2,18,19,20)
InChIKeyRFLUHHJMZKKCFX-UHFFFAOYSA-N
XLogP4.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one (CID 54704975) is 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1Sc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is RFLUHHJMZKKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2S/c16-8-1-4-10(5-2-8)21-14-13(19)11-6-3-9(17)7-12(11)18-15(14)20/h1-7H,(H2,18,19,20).
What are the key properties of 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 382.67 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).