6,8-dibromo-2-propyl-1H-quinolin-4-one

C12H11Br2NO — CID 61477841

IUPAC6,8-dibromo-2-propyl-1H-quinolin-4-one
SMILESCCCc1cc(=O)c2cc(Br)cc(Br)c2[nH]1
InChIInChI=1S/C12H11Br2NO/c1-2-3-8-6-11(16)9-4-7(13)5-10(14)12(9)15-8/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyHBSXDCVRPLOUMF-UHFFFAOYSA-N
MW345.03 g/mol
LogP4.01
Rot. Bonds2

About 6,8-dibromo-2-propyl-1H-quinolin-4-one

6,8-dibromo-2-propyl-1H-quinolin-4-one (PubChem CID 61477841) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is 6,8-dibromo-2-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-propyl-1H-quinolin-4-one
PubChem CID61477841
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC Name6,8-dibromo-2-propyl-1H-quinolin-4-one
SMILESCCCc1cc(=O)c2cc(Br)cc(Br)c2[nH]1
InChIInChI=1S/C12H11Br2NO/c1-2-3-8-6-11(16)9-4-7(13)5-10(14)12(9)15-8/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyHBSXDCVRPLOUMF-UHFFFAOYSA-N
XLogP4.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-dibromo-2-propyl-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 6,8-dibromo-2-propyl-1H-quinolin-4-one?
The IUPAC name of 6,8-dibromo-2-propyl-1H-quinolin-4-one (CID 61477841) is 6,8-dibromo-2-propyl-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-propyl-1H-quinolin-4-one?
The canonical SMILES for 6,8-dibromo-2-propyl-1H-quinolin-4-one is CCCc1cc(=O)c2cc(Br)cc(Br)c2[nH]1.
What is the InChIKey of 6,8-dibromo-2-propyl-1H-quinolin-4-one?
The InChIKey is HBSXDCVRPLOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c1-2-3-8-6-11(16)9-4-7(13)5-10(14)12(9)15-8/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 6,8-dibromo-2-propyl-1H-quinolin-4-one?
6,8-dibromo-2-propyl-1H-quinolin-4-one has a molecular weight of 345.03 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-propyl-1H-quinolin-4-one is sourced from PubChem (CID 61477841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).