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

C16H20N2 — CID 14107776

IUPAC(5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESC[C@@H]1C=C2c3cccc4c3[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/h3-6,10-11,15,17H,7-9H2,1-2H3/t10-,11-,15-/m1/s1
InChIKeyOJCJIVYNZFHBOS-UEKVPHQBSA-N
MW240.35 g/mol
LogP2.93
Rot. Bonds

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

(5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 14107776) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID14107776
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESC[C@@H]1C=C2c3cccc4c3[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/h3-6,10-11,15,17H,7-9H2,1-2H3/t10-,11-,15-/m1/s1
InChIKeyOJCJIVYNZFHBOS-UEKVPHQBSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Frequently Asked Questions

What is the IUPAC name of (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline (CID 14107776) is (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline is C[C@@H]1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1.
What is the InChIKey of (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is OJCJIVYNZFHBOS-UEKVPHQBSA-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/h3-6,10-11,15,17H,7-9H2,1-2H3/t10-,11-,15-/m1/s1.
What are the key properties of (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline?
(5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 240.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,6aR,9R)-7,9-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 14107776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).