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

C19H19BrN2O — CID 1189507

IUPAC3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)Cc1ccccc1
InChIInChI=1S/C19H19BrN2O/c1-13-17(12-22(2)11-14-6-4-3-5-7-14)19(23)16-10-15(20)8-9-18(16)21-13/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyZWQNWZNRNIVMTD-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.23
Rot. Bonds4

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

3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one (PubChem CID 1189507) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
PubChem CID1189507
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)Cc1ccccc1
InChIInChI=1S/C19H19BrN2O/c1-13-17(12-22(2)11-14-6-4-3-5-7-14)19(23)16-10-15(20)8-9-18(16)21-13/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyZWQNWZNRNIVMTD-UHFFFAOYSA-N
XLogP4.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[benzyl(methyl)amino]methyl]-6-bromo-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 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one (CID 1189507) is 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one?
The InChIKey is ZWQNWZNRNIVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-13-17(12-22(2)11-14-6-4-3-5-7-14)19(23)16-10-15(20)8-9-18(16)21-13/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one?
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one has a molecular weight of 371.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 1189507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).