10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine

C23H28N2 — CID 54583224

IUPAC10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C23H28N2/c1-3-12-22-18(8-1)16-19-9-2-4-13-23(19)25(22)17-20-10-7-15-24-14-6-5-11-21(20)24/h1-4,8-9,12-13,20-21H,5-7,10-11,14-17H2/t20-,21+/m0/s1
InChIKeyMLKHRHOCCGTRMH-LEWJYISDSA-N
MW332.49 g/mol
LogP4.99
Rot. Bonds2

About 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine

10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine (PubChem CID 54583224) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine.

Molecular Properties

Compound Name10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine
PubChem CID54583224
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C23H28N2/c1-3-12-22-18(8-1)16-19-9-2-4-13-23(19)25(22)17-20-10-7-15-24-14-6-5-11-21(20)24/h1-4,8-9,12-13,20-21H,5-7,10-11,14-17H2/t20-,21+/m0/s1
InChIKeyMLKHRHOCCGTRMH-LEWJYISDSA-N
XLogP4.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine 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 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine?
The IUPAC name of 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine (CID 54583224) is 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine.
What is the SMILES notation for 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine?
The canonical SMILES for 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine is c1ccc2c(c1)Cc1ccccc1N2C[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine?
The InChIKey is MLKHRHOCCGTRMH-LEWJYISDSA-N. The full InChI is InChI=1S/C23H28N2/c1-3-12-22-18(8-1)16-19-9-2-4-13-23(19)25(22)17-20-10-7-15-24-14-6-5-11-21(20)24/h1-4,8-9,12-13,20-21H,5-7,10-11,14-17H2/t20-,21+/m0/s1.
What are the key properties of 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine?
10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine has a molecular weight of 332.49 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-9H-acridine is sourced from PubChem (CID 54583224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).