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

C16H22N2 — CID 14107814

IUPAC(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
SMILESC[C@@H]1C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
InChIInChI=1S/C16H22N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,10-11,13,15,17H,6-9H2,1-2H3/t10-,11-,13-,15-/m1/s1
InChIKeySABGEBMFVXRDQI-NLRBGTRBSA-N
MW242.37 g/mol
LogP3.02
Rot. Bonds

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

(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 14107814) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
PubChem CID14107814
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline
SMILESC[C@@H]1C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
InChIInChI=1S/C16H22N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,10-11,13,15,17H,6-9H2,1-2H3/t10-,11-,13-,15-/m1/s1
InChIKeySABGEBMFVXRDQI-NLRBGTRBSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[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

Related Compounds

Nomifensine
CID 4528
Dicarbine
CID 65684
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
(+)-Aspidospermidine
CID 580281
3,5-Dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055195
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Stobadine
CID 108089
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline;hydrobromide
CID 13646526
5-fluoro-6-methyl-1-(naphthalen-1-ylmethyl)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 44326468

Frequently Asked Questions

What is the IUPAC name of (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline (CID 14107814) is (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline is C[C@@H]1C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1.
What is the InChIKey of (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is SABGEBMFVXRDQI-NLRBGTRBSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,10-11,13,15,17H,6-9H2,1-2H3/t10-,11-,13-,15-/m1/s1.
What are the key properties of (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline?
(5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 242.37 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aR,9R,10aR)-7,9-dimethyl-5,5a,6,6a,8,9,10,10a-octahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 14107814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).