(7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate

C18H22N2O2 — CID 162930249

IUPAC(7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate
SMILESCC(=O)OC1CC(C)C2c3cccc4[nH]cc(c34)CC2N1C
InChIInChI=1S/C18H22N2O2/c1-10-7-16(22-11(2)21)20(3)15-8-12-9-19-14-6-4-5-13(17(10)15)18(12)14/h4-6,9-10,15-17,19H,7-8H2,1-3H3
InChIKeyKYLGBESSTRERHQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.04
Rot. Bonds1

About (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate

(7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate (PubChem CID 162930249) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate.

Molecular Properties

Compound Name(7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate
PubChem CID162930249
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate
SMILESCC(=O)OC1CC(C)C2c3cccc4[nH]cc(c34)CC2N1C
InChIInChI=1S/C18H22N2O2/c1-10-7-16(22-11(2)21)20(3)15-8-12-9-19-14-6-4-5-13(17(10)15)18(12)14/h4-6,9-10,15-17,19H,7-8H2,1-3H3
InChIKeyKYLGBESSTRERHQ-UHFFFAOYSA-N
XLogP3.04
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate 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

Lysergic acid amide
CID 442072
Metergoline
CID 28693
(-)-Agroclavine
CID 73484
Festuclavine
CID 332915
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
Dihydroelymoclavine
CID 5274124
CY 208-243
CID 58144
Fumigaclavine C
CID 57339223
Lysergic Acid
CID 6717
Disulergine
CID 68788
Etisulergine
CID 68847
Methanone, ((8beta)-9,10-didehydro-6-methylergolin-8-yl)-4-morholinyl-
CID 199507

Frequently Asked Questions

What is the IUPAC name of (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate?
The IUPAC name of (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate (CID 162930249) is (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate.
What is the SMILES notation for (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate?
The canonical SMILES for (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate is CC(=O)OC1CC(C)C2c3cccc4[nH]cc(c34)CC2N1C.
What is the InChIKey of (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate?
The InChIKey is KYLGBESSTRERHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-10-7-16(22-11(2)21)20(3)15-8-12-9-19-14-6-4-5-13(17(10)15)18(12)14/h4-6,9-10,15-17,19H,7-8H2,1-3H3.
What are the key properties of (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate?
(7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate has a molecular weight of 298.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,10-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-8-yl) acetate is sourced from PubChem (CID 162930249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).