6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide

C16H18BrN3O — CID 163774945

IUPAC6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(N)=O
InChIInChI=1S/C16H18BrN3O/c1-10-14(15(18)21)12-9-11(17)5-6-13(12)19-16(10)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H2,18,21)
InChIKeyMJPFSUWLOWCXQO-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.39
Rot. Bonds2

About 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide

6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide (PubChem CID 163774945) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
PubChem CID163774945
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(N)=O
InChIInChI=1S/C16H18BrN3O/c1-10-14(15(18)21)12-9-11(17)5-6-13(12)19-16(10)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H2,18,21)
InChIKeyMJPFSUWLOWCXQO-UHFFFAOYSA-N
XLogP3.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide 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-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide (CID 163774945) is 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide is Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(N)=O.
What is the InChIKey of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
The InChIKey is MJPFSUWLOWCXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-14(15(18)21)12-9-11(17)5-6-13(12)19-16(10)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H2,18,21).
What are the key properties of 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide?
6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 163774945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).