6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one

C13H10BrCl2NO — CID 911135

IUPAC6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CC=C(Cl)Cl
InChIInChI=1S/C13H10BrCl2NO/c1-7-9(3-5-12(15)16)13(18)10-6-8(14)2-4-11(10)17-7/h2,4-6H,3H2,1H3,(H,17,18)
InChIKeyFOQBKYFEXRUTTD-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.46
Rot. Bonds2

About 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one

6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one (PubChem CID 911135) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one
PubChem CID911135
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CC=C(Cl)Cl
InChIInChI=1S/C13H10BrCl2NO/c1-7-9(3-5-12(15)16)13(18)10-6-8(14)2-4-11(10)17-7/h2,4-6H,3H2,1H3,(H,17,18)
InChIKeyFOQBKYFEXRUTTD-UHFFFAOYSA-N
XLogP4.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-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-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one (CID 911135) is 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CC=C(Cl)Cl.
What is the InChIKey of 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one?
The InChIKey is FOQBKYFEXRUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-7-9(3-5-12(15)16)13(18)10-6-8(14)2-4-11(10)17-7/h2,4-6H,3H2,1H3,(H,17,18).
What are the key properties of 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one?
6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one has a molecular weight of 347.04 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 911135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).