methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate

C20H23NO6 — CID 11632164

IUPACmethyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate
SMILESCOC(=O)C12CC(=O)CCC13c1cc(OC)c(OC)cc1CCN3C(=O)C2
InChIInChI=1S/C20H23NO6/c1-25-15-8-12-5-7-21-17(23)11-19(18(24)27-3)10-13(22)4-6-20(19,21)14(12)9-16(15)26-2/h8-9H,4-7,10-11H2,1-3H3
InChIKeyPCOYTTGDBZXKFE-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.60
Rot. Bonds3

About methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate

methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate (PubChem CID 11632164) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate.

Molecular Properties

Compound Namemethyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate
PubChem CID11632164
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate
SMILESCOC(=O)C12CC(=O)CCC13c1cc(OC)c(OC)cc1CCN3C(=O)C2
InChIInChI=1S/C20H23NO6/c1-25-15-8-12-5-7-21-17(23)11-19(18(24)27-3)10-13(22)4-6-20(19,21)14(12)9-16(15)26-2/h8-9H,4-7,10-11H2,1-3H3
InChIKeyPCOYTTGDBZXKFE-UHFFFAOYSA-N
XLogP1.60
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate?
The IUPAC name of methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate (CID 11632164) is methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate.
What is the SMILES notation for methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate?
The canonical SMILES for methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate is COC(=O)C12CC(=O)CCC13c1cc(OC)c(OC)cc1CCN3C(=O)C2.
What is the InChIKey of methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate?
The InChIKey is PCOYTTGDBZXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-25-15-8-12-5-7-21-17(23)11-19(18(24)27-3)10-13(22)4-6-20(19,21)14(12)9-16(15)26-2/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate?
methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate is sourced from PubChem (CID 11632164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).