3-bromo-1-methyl-4-phenylquinolin-2-one

C16H12BrNO — CID 50999162

IUPAC3-bromo-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(Br)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H12BrNO/c1-18-13-10-6-5-9-12(13)14(15(17)16(18)19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyRZAQUJMLIPTORZ-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.97
Rot. Bonds1

About 3-bromo-1-methyl-4-phenylquinolin-2-one

3-bromo-1-methyl-4-phenylquinolin-2-one (PubChem CID 50999162) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name3-bromo-1-methyl-4-phenylquinolin-2-one
PubChem CID50999162
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name3-bromo-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(Br)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H12BrNO/c1-18-13-10-6-5-9-12(13)14(15(17)16(18)19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyRZAQUJMLIPTORZ-UHFFFAOYSA-N
XLogP3.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 3-bromo-1-methyl-4-phenylquinolin-2-one (CID 50999162) is 3-bromo-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 3-bromo-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 3-bromo-1-methyl-4-phenylquinolin-2-one is Cn1c(=O)c(Br)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-4-phenylquinolin-2-one?
The InChIKey is RZAQUJMLIPTORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-18-13-10-6-5-9-12(13)14(15(17)16(18)19)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 3-bromo-1-methyl-4-phenylquinolin-2-one?
3-bromo-1-methyl-4-phenylquinolin-2-one has a molecular weight of 314.18 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 50999162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).