ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate

C20H26N2O3 — CID 70584794

IUPACethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
SMILESCCOC(=O)[C@]1(COC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C20H26N2O3/c1-4-25-19(23)20(12-24-3)9-15-14-6-5-7-16-18(14)13(10-21-16)8-17(15)22(2)11-20/h5-7,10,15,17,21H,4,8-9,11-12H2,1-3H3/t15-,17-,20-/m1/s1
InChIKeyNAAYXVFQQFEPEW-WRWLIDTKSA-N
MW342.44 g/mol
LogP2.71
Rot. Bonds4

About ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate

ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate (PubChem CID 70584794) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate.

Molecular Properties

Compound Nameethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
PubChem CID70584794
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
SMILESCCOC(=O)[C@]1(COC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C20H26N2O3/c1-4-25-19(23)20(12-24-3)9-15-14-6-5-7-16-18(14)13(10-21-16)8-17(15)22(2)11-20/h5-7,10,15,17,21H,4,8-9,11-12H2,1-3H3/t15-,17-,20-/m1/s1
InChIKeyNAAYXVFQQFEPEW-WRWLIDTKSA-N
XLogP2.71
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate 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

[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70622855
[(6aR,9R)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl methanesulfonate
CID 88808467
(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 67725174
methyl 2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetate
CID 12782970
ethyl 3-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-5-methylimidazole-4-carboxylate
CID 3064764
2-[(6aR,9S)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 70622844
[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl piperidine-1-carboxylate
CID 54474973
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54146614
ethyl 2-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylcarbamoyl-methylamino]acetate
CID 70424648
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
(Z)-4-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]pent-3-en-2-one
CID 6447653
2-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-methoxyacetic acid
CID 57264883

Frequently Asked Questions

What is the IUPAC name of ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate?
The IUPAC name of ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate (CID 70584794) is ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate.
What is the SMILES notation for ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate?
The canonical SMILES for ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate is CCOC(=O)[C@]1(COC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.
What is the InChIKey of ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate?
The InChIKey is NAAYXVFQQFEPEW-WRWLIDTKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-25-19(23)20(12-24-3)9-15-14-6-5-7-16-18(14)13(10-21-16)8-17(15)22(2)11-20/h5-7,10,15,17,21H,4,8-9,11-12H2,1-3H3/t15-,17-,20-/m1/s1.
What are the key properties of ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate?
ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate is sourced from PubChem (CID 70584794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).