6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one

C18H24BrN3O — CID 1189714

IUPAC6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C1CCN(C)CC1
InChIInChI=1S/C18H24BrN3O/c1-12-16(11-22(3)14-6-8-21(2)9-7-14)18(23)15-10-13(19)4-5-17(15)20-12/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,23)
InChIKeyCAYRNZFPLBIQLS-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.13
Rot. Bonds3

About 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one

6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one (PubChem CID 1189714) has the molecular formula C18H24BrN3O and a molecular weight of 378.31 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one
PubChem CID1189714
Molecular FormulaC18H24BrN3O
Molecular Weight378.31 g/mol
Exact Mass377.11
IUPAC Name6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C1CCN(C)CC1
InChIInChI=1S/C18H24BrN3O/c1-12-16(11-22(3)14-6-8-21(2)9-7-14)18(23)15-10-13(19)4-5-17(15)20-12/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,23)
InChIKeyCAYRNZFPLBIQLS-UHFFFAOYSA-N
XLogP3.13
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]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

Related Compounds

6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507
ethyl 6-(dimethylamino)-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576467
6-bromo-2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7199765
6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one
CID 911135
2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid
CID 7137955
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 13384095
6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
CID 4550810
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
6-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one (CID 1189714) is 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C1CCN(C)CC1.
What is the InChIKey of 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one?
The InChIKey is CAYRNZFPLBIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O/c1-12-16(11-22(3)14-6-8-21(2)9-7-14)18(23)15-10-13(19)4-5-17(15)20-12/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,23).
What are the key properties of 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one?
6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one has a molecular weight of 378.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 1189714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).