N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C22H28N4O — CID 71831326

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCC1CCCN2CCCCC12)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C22H28N4O/c27-22(23-14-16-7-5-13-26-12-4-3-9-19(16)26)21-18-11-10-15-6-1-2-8-17(15)20(18)24-25-21/h1-2,6,8,16,19H,3-5,7,9-14H2,(H,23,27)(H,24,25)
InChIKeyVJJDWCRSDQHGAV-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.17
Rot. Bonds3

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 71831326) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID71831326
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCC1CCCN2CCCCC12)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C22H28N4O/c27-22(23-14-16-7-5-13-26-12-4-3-9-19(16)26)21-18-11-10-15-6-1-2-8-17(15)20(18)24-25-21/h1-2,6,8,16,19H,3-5,7,9-14H2,(H,23,27)(H,24,25)
InChIKeyVJJDWCRSDQHGAV-UHFFFAOYSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide 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)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 71831326) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(NCC1CCCN2CCCCC12)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is VJJDWCRSDQHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(23-14-16-7-5-13-26-12-4-3-9-19(16)26)21-18-11-10-15-6-1-2-8-17(15)20(18)24-25-21/h1-2,6,8,16,19H,3-5,7,9-14H2,(H,23,27)(H,24,25).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 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)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 71831326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).