(5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

C16H22N2 — CID 12041429

IUPAC(5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESCN1C[C@H]2C[C@H]3[C@H](CCCN3C)c3cccc1c32
InChIInChI=1S/C16H22N2/c1-17-8-4-6-12-13-5-3-7-14-16(13)11(9-15(12)17)10-18(14)2/h3,5,7,11-12,15H,4,6,8-10H2,1-2H3/t11-,12-,15+/m1/s1
InChIKeyAJLDKAZVAGCTKS-JMSVASOKSA-N
MW242.37 g/mol
LogP2.80
Rot. Bonds

About (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

(5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (PubChem CID 12041429) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
PubChem CID12041429
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESCN1C[C@H]2C[C@H]3[C@H](CCCN3C)c3cccc1c32
InChIInChI=1S/C16H22N2/c1-17-8-4-6-12-13-5-3-7-14-16(13)11(9-15(12)17)10-18(14)2/h3,5,7,11-12,15H,4,6,8-10H2,1-2H3/t11-,12-,15+/m1/s1
InChIKeyAJLDKAZVAGCTKS-JMSVASOKSA-N
XLogP2.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline 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 (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (CID 12041429) is (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is CN1C[C@H]2C[C@H]3[C@H](CCCN3C)c3cccc1c32.
What is the InChIKey of (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The InChIKey is AJLDKAZVAGCTKS-JMSVASOKSA-N. The full InChI is InChI=1S/C16H22N2/c1-17-8-4-6-12-13-5-3-7-14-16(13)11(9-15(12)17)10-18(14)2/h3,5,7,11-12,15H,4,6,8-10H2,1-2H3/t11-,12-,15+/m1/s1.
What are the key properties of (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
(5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline has a molecular weight of 242.37 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aS,10aR)-4,7-dimethyl-5,5a,6,6a,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 12041429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).