3-prop-2-enylquinolin-2-amine;hydrochloride

C12H13ClN2 — CID 69457689

IUPAC3-prop-2-enylquinolin-2-amine;hydrochloride
SMILESC=CCc1cc2ccccc2nc1N.Cl
InChIInChI=1S/C12H12N2.ClH/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13;/h2-4,6-8H,1,5H2,(H2,13,14);1H
InChIKeyOAKKNMNMNRKQIG-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.97
Rot. Bonds2

About 3-prop-2-enylquinolin-2-amine;hydrochloride

3-prop-2-enylquinolin-2-amine;hydrochloride (PubChem CID 69457689) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-prop-2-enylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-prop-2-enylquinolin-2-amine;hydrochloride
PubChem CID69457689
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-prop-2-enylquinolin-2-amine;hydrochloride
SMILESC=CCc1cc2ccccc2nc1N.Cl
InChIInChI=1S/C12H12N2.ClH/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13;/h2-4,6-8H,1,5H2,(H2,13,14);1H
InChIKeyOAKKNMNMNRKQIG-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylquinolin-2-amine;hydrochloride 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-prop-2-enylquinolin-2-amine;hydrochloride?
The IUPAC name of 3-prop-2-enylquinolin-2-amine;hydrochloride (CID 69457689) is 3-prop-2-enylquinolin-2-amine;hydrochloride.
What is the SMILES notation for 3-prop-2-enylquinolin-2-amine;hydrochloride?
The canonical SMILES for 3-prop-2-enylquinolin-2-amine;hydrochloride is C=CCc1cc2ccccc2nc1N.Cl.
What is the InChIKey of 3-prop-2-enylquinolin-2-amine;hydrochloride?
The InChIKey is OAKKNMNMNRKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.ClH/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13;/h2-4,6-8H,1,5H2,(H2,13,14);1H.
What are the key properties of 3-prop-2-enylquinolin-2-amine;hydrochloride?
3-prop-2-enylquinolin-2-amine;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 69457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).