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

C16H20N2 — CID 14107816

IUPAC(5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCC1=C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
InChIInChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,11,13,15,17H,7-9H2,1-2H3/t11-,13-,15-/m1/s1
InChIKeyCJJVQYKRHBQPJE-UXIGCNINSA-N
MW240.35 g/mol
LogP2.94
Rot. Bonds

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

(5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 14107816) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID14107816
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCC1=C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
InChIInChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,11,13,15,17H,7-9H2,1-2H3/t11-,13-,15-/m1/s1
InChIKeyCJJVQYKRHBQPJE-UXIGCNINSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-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

Dicarbine
CID 65684
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
(+)-Aspidospermidine
CID 580281
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
2-(3,5-Dimethylphenyl)isoindoline
CID 613815
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Stobadine
CID 108089
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
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,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 14107816) is (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline is CC1=C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1.
What is the InChIKey of (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is CJJVQYKRHBQPJE-UXIGCNINSA-N. The full InChI is InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,11,13,15,17H,7-9H2,1-2H3/t11-,13-,15-/m1/s1.
What are the key properties of (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 240.35 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aR,10aR)-7,9-dimethyl-5,5a,6,6a,8,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 14107816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).