3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one

C22H14BrNO2 — CID 132606868

IUPAC3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C22H14BrNO2/c23-16-11-12-18-17(13-16)22(26)19(21(25)15-9-5-2-6-10-15)20(24-18)14-7-3-1-4-8-14/h1-13H,(H,24,26)
InChIKeyOWXXWSGLWGSRRH-UHFFFAOYSA-N
MW404.26 g/mol
LogP5.19
Rot. Bonds3

About 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one

3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one (PubChem CID 132606868) has the molecular formula C22H14BrNO2 and a molecular weight of 404.26 g/mol. Its IUPAC name is 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one
PubChem CID132606868
Molecular FormulaC22H14BrNO2
Molecular Weight404.26 g/mol
Exact Mass403.02
IUPAC Name3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C22H14BrNO2/c23-16-11-12-18-17(13-16)22(26)19(21(25)15-9-5-2-6-10-15)20(24-18)14-7-3-1-4-8-14/h1-13H,(H,24,26)
InChIKeyOWXXWSGLWGSRRH-UHFFFAOYSA-N
XLogP5.19
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one (CID 132606868) is 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one is O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one?
The InChIKey is OWXXWSGLWGSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNO2/c23-16-11-12-18-17(13-16)22(26)19(21(25)15-9-5-2-6-10-15)20(24-18)14-7-3-1-4-8-14/h1-13H,(H,24,26).
What are the key properties of 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one?
3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one has a molecular weight of 404.26 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-bromo-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 132606868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).