3-bromo-2-methyl-1H-quinolin-4-one

C10H8BrNO — CID 886844

IUPAC3-bromo-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1Br
InChIInChI=1S/C10H8BrNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H,1H3,(H,12,13)
InChIKeyRPUCDXLAFUWPHF-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.60
Rot. Bonds

About 3-bromo-2-methyl-1H-quinolin-4-one

3-bromo-2-methyl-1H-quinolin-4-one (PubChem CID 886844) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-bromo-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-2-methyl-1H-quinolin-4-one
PubChem CID886844
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-bromo-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1Br
InChIInChI=1S/C10H8BrNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H,1H3,(H,12,13)
InChIKeyRPUCDXLAFUWPHF-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-bromo-2-methyl-1H-quinolin-4-one (CID 886844) is 3-bromo-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1Br.
What is the InChIKey of 3-bromo-2-methyl-1H-quinolin-4-one?
The InChIKey is RPUCDXLAFUWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H,1H3,(H,12,13).
What are the key properties of 3-bromo-2-methyl-1H-quinolin-4-one?
3-bromo-2-methyl-1H-quinolin-4-one has a molecular weight of 238.08 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 886844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).