5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one

C21H18Br2N2O2 — CID 159361539

IUPAC5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)ccc2c1Br.Cc1ccc2c(ccc(=O)n2C)c1Br
InChIInChI=1S/C11H10BrNO.C10H8BrNO/c1-7-3-5-9-8(11(7)12)4-6-10(14)13(9)2;1-6-2-4-8-7(10(6)11)3-5-9(13)12-8/h3-6H,1-2H3;2-5H,1H3,(H,12,13)
InChIKeyLIPJTEQLEWGEAK-UHFFFAOYSA-N
MW490.20 g/mol
LogP5.21
Rot. Bonds

About 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one

5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one (PubChem CID 159361539) has the molecular formula C21H18Br2N2O2 and a molecular weight of 490.20 g/mol. Its IUPAC name is 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one
PubChem CID159361539
Molecular FormulaC21H18Br2N2O2
Molecular Weight490.20 g/mol
Exact Mass487.97
IUPAC Name5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)ccc2c1Br.Cc1ccc2c(ccc(=O)n2C)c1Br
InChIInChI=1S/C11H10BrNO.C10H8BrNO/c1-7-3-5-9-8(11(7)12)4-6-10(14)13(9)2;1-6-2-4-8-7(10(6)11)3-5-9(13)12-8/h3-6H,1-2H3;2-5H,1H3,(H,12,13)
InChIKeyLIPJTEQLEWGEAK-UHFFFAOYSA-N
XLogP5.21
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one?
The IUPAC name of 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one (CID 159361539) is 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)ccc2c1Br.Cc1ccc2c(ccc(=O)n2C)c1Br.
What is the InChIKey of 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one?
The InChIKey is LIPJTEQLEWGEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO.C10H8BrNO/c1-7-3-5-9-8(11(7)12)4-6-10(14)13(9)2;1-6-2-4-8-7(10(6)11)3-5-9(13)12-8/h3-6H,1-2H3;2-5H,1H3,(H,12,13).
What are the key properties of 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one?
5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one has a molecular weight of 490.20 g/mol, XLogP of 5.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 159361539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).