6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

C16H19BrN2O — CID 661303

IUPAC6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1
InChIInChI=1S/C16H19BrN2O/c1-11-14(10-19-7-3-2-4-8-19)16(20)13-9-12(17)5-6-15(13)18-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeyVQHMUUVWKHRDLT-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.58
Rot. Bonds2

About 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 661303) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID661303
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1
InChIInChI=1S/C16H19BrN2O/c1-11-14(10-19-7-3-2-4-8-19)16(20)13-9-12(17)5-6-15(13)18-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeyVQHMUUVWKHRDLT-UHFFFAOYSA-N
XLogP3.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-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-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (CID 661303) is 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1.
What is the InChIKey of 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is VQHMUUVWKHRDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-14(10-19-7-3-2-4-8-19)16(20)13-9-12(17)5-6-15(13)18-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20).
What are the key properties of 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 335.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 661303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).