3-bromo-2,6-dimethyl-1H-quinolin-4-one

C11H10BrNO — CID 892686

IUPAC3-bromo-2,6-dimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(Br)c(=O)c2c1
InChIInChI=1S/C11H10BrNO/c1-6-3-4-9-8(5-6)11(14)10(12)7(2)13-9/h3-5H,1-2H3,(H,13,14)
InChIKeyVZXYQIVFTWUMNT-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.91
Rot. Bonds

About 3-bromo-2,6-dimethyl-1H-quinolin-4-one

3-bromo-2,6-dimethyl-1H-quinolin-4-one (PubChem CID 892686) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 3-bromo-2,6-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-2,6-dimethyl-1H-quinolin-4-one
PubChem CID892686
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name3-bromo-2,6-dimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(Br)c(=O)c2c1
InChIInChI=1S/C11H10BrNO/c1-6-3-4-9-8(5-6)11(14)10(12)7(2)13-9/h3-5H,1-2H3,(H,13,14)
InChIKeyVZXYQIVFTWUMNT-UHFFFAOYSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2,6-dimethyl-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-bromo-2,6-dimethyl-1H-quinolin-4-one (CID 892686) is 3-bromo-2,6-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-2,6-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-2,6-dimethyl-1H-quinolin-4-one is Cc1ccc2[nH]c(C)c(Br)c(=O)c2c1.
What is the InChIKey of 3-bromo-2,6-dimethyl-1H-quinolin-4-one?
The InChIKey is VZXYQIVFTWUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-6-3-4-9-8(5-6)11(14)10(12)7(2)13-9/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3-bromo-2,6-dimethyl-1H-quinolin-4-one?
3-bromo-2,6-dimethyl-1H-quinolin-4-one has a molecular weight of 252.11 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 892686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).