3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine

C15H18BrN3O — CID 106949030

IUPAC3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
SMILESCOC1CCN(c2ccc(N)c3cc(Br)cnc23)CC1
InChIInChI=1S/C15H18BrN3O/c1-20-11-4-6-19(7-5-11)14-3-2-13(17)12-8-10(16)9-18-15(12)14/h2-3,8-9,11H,4-7,17H2,1H3
InChIKeyNUERKMPQENNPTJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.19
Rot. Bonds2

About 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine

3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine (PubChem CID 106949030) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
PubChem CID106949030
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
SMILESCOC1CCN(c2ccc(N)c3cc(Br)cnc23)CC1
InChIInChI=1S/C15H18BrN3O/c1-20-11-4-6-19(7-5-11)14-3-2-13(17)12-8-10(16)9-18-15(12)14/h2-3,8-9,11H,4-7,17H2,1H3
InChIKeyNUERKMPQENNPTJ-UHFFFAOYSA-N
XLogP3.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine 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-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine (CID 106949030) is 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine is COC1CCN(c2ccc(N)c3cc(Br)cnc23)CC1.
What is the InChIKey of 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine?
The InChIKey is NUERKMPQENNPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-11-4-6-19(7-5-11)14-3-2-13(17)12-8-10(16)9-18-15(12)14/h2-3,8-9,11H,4-7,17H2,1H3.
What are the key properties of 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine?
3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine has a molecular weight of 336.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine is sourced from PubChem (CID 106949030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).