methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate

C17H15NO5 — CID 57404005

IUPACmethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C17H15NO5/c1-8-9(2)16(20)14-13(15(8)19)12(17(21)23-4)11-7-10(22-3)5-6-18(11)14/h5-7H,1-4H3
InChIKeyKOPOEZGPPPRBLQ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.45
Rot. Bonds2

About methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate

methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate (PubChem CID 57404005) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
PubChem CID57404005
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namemethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
SMILESCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C17H15NO5/c1-8-9(2)16(20)14-13(15(8)19)12(17(21)23-4)11-7-10(22-3)5-6-18(11)14/h5-7H,1-4H3
InChIKeyKOPOEZGPPPRBLQ-UHFFFAOYSA-N
XLogP2.45
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate 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 methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate (CID 57404005) is methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate is COC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O.
What is the InChIKey of methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The InChIKey is KOPOEZGPPPRBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-8-9(2)16(20)14-13(15(8)19)12(17(21)23-4)11-7-10(22-3)5-6-18(11)14/h5-7H,1-4H3.
What are the key properties of methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 57404005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).