N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide

C22H31N3O — CID 163086607

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide
SMILESCc1ccc2c(ccn2CCC(=O)NCC2CCCN3CCCCC23)c1
InChIInChI=1S/C22H31N3O/c1-17-7-8-21-18(15-17)9-13-25(21)14-10-22(26)23-16-19-5-4-12-24-11-3-2-6-20(19)24/h7-9,13,15,19-20H,2-6,10-12,14,16H2,1H3,(H,23,26)
InChIKeyVUEMIHAOTMCHIH-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.72
Rot. Bonds5

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide (PubChem CID 163086607) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide
PubChem CID163086607
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide
SMILESCc1ccc2c(ccn2CCC(=O)NCC2CCCN3CCCCC23)c1
InChIInChI=1S/C22H31N3O/c1-17-7-8-21-18(15-17)9-13-25(21)14-10-22(26)23-16-19-5-4-12-24-11-3-2-6-20(19)24/h7-9,13,15,19-20H,2-6,10-12,14,16H2,1H3,(H,23,26)
InChIKeyVUEMIHAOTMCHIH-UHFFFAOYSA-N
XLogP3.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide 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 N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide (CID 163086607) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide is Cc1ccc2c(ccn2CCC(=O)NCC2CCCN3CCCCC23)c1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide?
The InChIKey is VUEMIHAOTMCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-7-8-21-18(15-17)9-13-25(21)14-10-22(26)23-16-19-5-4-12-24-11-3-2-6-20(19)24/h7-9,13,15,19-20H,2-6,10-12,14,16H2,1H3,(H,23,26).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(5-methylindol-1-yl)propanamide is sourced from PubChem (CID 163086607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).