1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine

C13H12N4 — CID 66958743

IUPAC1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
SMILESC=CC(N)c1[nH]nc2cnc3ccccc3c12
InChIInChI=1S/C13H12N4/c1-2-9(14)13-12-8-5-3-4-6-10(8)15-7-11(12)16-17-13/h2-7,9H,1,14H2,(H,16,17)
InChIKeyIPMDPXYRXOCKBK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.30
Rot. Bonds2

About 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine

1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine (PubChem CID 66958743) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
PubChem CID66958743
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
SMILESC=CC(N)c1[nH]nc2cnc3ccccc3c12
InChIInChI=1S/C13H12N4/c1-2-9(14)13-12-8-5-3-4-6-10(8)15-7-11(12)16-17-13/h2-7,9H,1,14H2,(H,16,17)
InChIKeyIPMDPXYRXOCKBK-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-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 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
The IUPAC name of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine (CID 66958743) is 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine is C=CC(N)c1[nH]nc2cnc3ccccc3c12.
What is the InChIKey of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
The InChIKey is IPMDPXYRXOCKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-9(14)13-12-8-5-3-4-6-10(8)15-7-11(12)16-17-13/h2-7,9H,1,14H2,(H,16,17).
What are the key properties of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 66958743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).