4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one

C16H12BrNOS — CID 24895941

IUPAC4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Sc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H12BrNOS/c1-18-14-5-3-2-4-13(14)15(10-16(18)19)20-12-8-6-11(17)7-9-12/h2-10H,1H3
InChIKeyQTIJRBHNKJEIDN-UHFFFAOYSA-N
MW346.25 g/mol
LogP4.45
Rot. Bonds2

About 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one

4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one (PubChem CID 24895941) has the molecular formula C16H12BrNOS and a molecular weight of 346.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one
PubChem CID24895941
Molecular FormulaC16H12BrNOS
Molecular Weight346.25 g/mol
Exact Mass344.98
IUPAC Name4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one
SMILESCn1c(=O)cc(Sc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H12BrNOS/c1-18-14-5-3-2-4-13(14)15(10-16(18)19)20-12-8-6-11(17)7-9-12/h2-10H,1H3
InChIKeyQTIJRBHNKJEIDN-UHFFFAOYSA-N
XLogP4.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one?
The IUPAC name of 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one (CID 24895941) is 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one?
The canonical SMILES for 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one is Cn1c(=O)cc(Sc2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one?
The InChIKey is QTIJRBHNKJEIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNOS/c1-18-14-5-3-2-4-13(14)15(10-16(18)19)20-12-8-6-11(17)7-9-12/h2-10H,1H3.
What are the key properties of 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one?
4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one has a molecular weight of 346.25 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanyl-1-methylquinolin-2-one is sourced from PubChem (CID 24895941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).