7-bromo-3-(1-methylpiperidin-4-yl)quinoline

C15H17BrN2 — CID 169112519

IUPAC7-bromo-3-(1-methylpiperidin-4-yl)quinoline
SMILESCN1CCC(c2cnc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C15H17BrN2/c1-18-6-4-11(5-7-18)13-8-12-2-3-14(16)9-15(12)17-10-13/h2-3,8-11H,4-7H2,1H3
InChIKeyGKWLLVSIDWEBKN-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.81
Rot. Bonds1

About 7-bromo-3-(1-methylpiperidin-4-yl)quinoline

7-bromo-3-(1-methylpiperidin-4-yl)quinoline (PubChem CID 169112519) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 7-bromo-3-(1-methylpiperidin-4-yl)quinoline.

Molecular Properties

Compound Name7-bromo-3-(1-methylpiperidin-4-yl)quinoline
PubChem CID169112519
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name7-bromo-3-(1-methylpiperidin-4-yl)quinoline
SMILESCN1CCC(c2cnc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C15H17BrN2/c1-18-6-4-11(5-7-18)13-8-12-2-3-14(16)9-15(12)17-10-13/h2-3,8-11H,4-7H2,1H3
InChIKeyGKWLLVSIDWEBKN-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-3-(1-methylpiperidin-4-yl)quinoline 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 7-bromo-3-(1-methylpiperidin-4-yl)quinoline?
The IUPAC name of 7-bromo-3-(1-methylpiperidin-4-yl)quinoline (CID 169112519) is 7-bromo-3-(1-methylpiperidin-4-yl)quinoline.
What is the SMILES notation for 7-bromo-3-(1-methylpiperidin-4-yl)quinoline?
The canonical SMILES for 7-bromo-3-(1-methylpiperidin-4-yl)quinoline is CN1CCC(c2cnc3cc(Br)ccc3c2)CC1.
What is the InChIKey of 7-bromo-3-(1-methylpiperidin-4-yl)quinoline?
The InChIKey is GKWLLVSIDWEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18-6-4-11(5-7-18)13-8-12-2-3-14(16)9-15(12)17-10-13/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 7-bromo-3-(1-methylpiperidin-4-yl)quinoline?
7-bromo-3-(1-methylpiperidin-4-yl)quinoline has a molecular weight of 305.22 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1-methylpiperidin-4-yl)quinoline is sourced from PubChem (CID 169112519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).