3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine

C20H20N4 — CID 59831857

IUPAC3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine
SMILESCNCCC(c1ccc2[nH]ccc2c1)c1ccc2nccnc2c1
InChIInChI=1S/C20H20N4/c1-21-8-7-17(14-2-4-18-16(12-14)6-9-22-18)15-3-5-19-20(13-15)24-11-10-23-19/h2-6,9-13,17,21-22H,7-8H2,1H3
InChIKeyZWEYQPGRNUTJSQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.85
Rot. Bonds5

About 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine

3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine (PubChem CID 59831857) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine
PubChem CID59831857
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine
SMILESCNCCC(c1ccc2[nH]ccc2c1)c1ccc2nccnc2c1
InChIInChI=1S/C20H20N4/c1-21-8-7-17(14-2-4-18-16(12-14)6-9-22-18)15-3-5-19-20(13-15)24-11-10-23-19/h2-6,9-13,17,21-22H,7-8H2,1H3
InChIKeyZWEYQPGRNUTJSQ-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-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 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine?
The IUPAC name of 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine (CID 59831857) is 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine.
What is the SMILES notation for 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine?
The canonical SMILES for 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine is CNCCC(c1ccc2[nH]ccc2c1)c1ccc2nccnc2c1.
What is the InChIKey of 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine?
The InChIKey is ZWEYQPGRNUTJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-21-8-7-17(14-2-4-18-16(12-14)6-9-22-18)15-3-5-19-20(13-15)24-11-10-23-19/h2-6,9-13,17,21-22H,7-8H2,1H3.
What are the key properties of 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine?
3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine has a molecular weight of 316.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine is sourced from PubChem (CID 59831857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).