(6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline

C19H26N2O2 — CID 71528206

IUPAC(6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
SMILESCOC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
InChIInChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1
InChIKeyVXPAMWVVWOOAQG-FRFSOERESA-N
MW314.43 g/mol
LogP2.76
Rot. Bonds3

About (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline

(6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline (PubChem CID 71528206) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
PubChem CID71528206
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
SMILESCOC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
InChIInChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1
InChIKeyVXPAMWVVWOOAQG-FRFSOERESA-N
XLogP2.76
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[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 (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline (CID 71528206) is (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline is COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.
What is the InChIKey of (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline?
The InChIKey is VXPAMWVVWOOAQG-FRFSOERESA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1.
What are the key properties of (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline?
(6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline has a molecular weight of 314.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-9-(dimethoxymethyl)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 71528206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).