2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine

C18H14N4 — CID 71818825

IUPAC2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine
SMILESNc1cc(/C=C/c2n[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C18H14N4/c19-15-11-12(20-16-7-3-1-5-13(15)16)9-10-18-14-6-2-4-8-17(14)21-22-18/h1-11H,(H2,19,20)(H,21,22)/b10-9+
InChIKeyAQNXTMYXUNPSGN-MDZDMXLPSA-N
MW286.34 g/mol
LogP3.86
Rot. Bonds2

About 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine

2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine (PubChem CID 71818825) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine
PubChem CID71818825
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine
SMILESNc1cc(/C=C/c2n[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C18H14N4/c19-15-11-12(20-16-7-3-1-5-13(15)16)9-10-18-14-6-2-4-8-17(14)21-22-18/h1-11H,(H2,19,20)(H,21,22)/b10-9+
InChIKeyAQNXTMYXUNPSGN-MDZDMXLPSA-N
XLogP3.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-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 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine?
The IUPAC name of 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine (CID 71818825) is 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine.
What is the SMILES notation for 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine?
The canonical SMILES for 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine is Nc1cc(/C=C/c2n[nH]c3ccccc23)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine?
The InChIKey is AQNXTMYXUNPSGN-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14N4/c19-15-11-12(20-16-7-3-1-5-13(15)16)9-10-18-14-6-2-4-8-17(14)21-22-18/h1-11H,(H2,19,20)(H,21,22)/b10-9+.
What are the key properties of 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine?
2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1H-indazol-3-yl)ethenyl]quinolin-4-amine is sourced from PubChem (CID 71818825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).