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

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Related Compounds

3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one
CID 914861
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 5076053
6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one
CID 1189714
6-bromo-3-(3-chloroprop-2-enyl)-2-methyl-1H-quinoline-4-thione
CID 3094846
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314
6-bromo-2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7199765
2-(5-bromo-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502343
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960

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).