5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one

C15H9BrClNO — CID 62909253

IUPAC5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c(Cl)ccc(Br)c12
InChIInChI=1S/C15H9BrClNO/c16-10-6-7-11(17)15-14(10)13(19)8-12(18-15)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyBOQOBPWJVQSSQD-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.61
Rot. Bonds1

About 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one

5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one (PubChem CID 62909253) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one
PubChem CID62909253
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c(Cl)ccc(Br)c12
InChIInChI=1S/C15H9BrClNO/c16-10-6-7-11(17)15-14(10)13(19)8-12(18-15)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyBOQOBPWJVQSSQD-UHFFFAOYSA-N
XLogP4.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one (CID 62909253) is 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one is O=c1cc(-c2ccccc2)[nH]c2c(Cl)ccc(Br)c12.
What is the InChIKey of 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one?
The InChIKey is BOQOBPWJVQSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-10-6-7-11(17)15-14(10)13(19)8-12(18-15)9-4-2-1-3-5-9/h1-8H,(H,18,19).
What are the key properties of 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one?
5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one has a molecular weight of 334.60 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 62909253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).