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

C18H17NO5 — CID 57391817

IUPACethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C18H17NO5/c1-5-24-18(22)13-12-8-11(23-4)6-7-19(12)15-14(13)16(20)9(2)10(3)17(15)21/h6-8H,5H2,1-4H3
InChIKeySWYHKFFVXDKIIW-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.84
Rot. Bonds3

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

ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate (PubChem CID 57391817) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
PubChem CID57391817
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C18H17NO5/c1-5-24-18(22)13-12-8-11(23-4)6-7-19(12)15-14(13)16(20)9(2)10(3)17(15)21/h6-8H,5H2,1-4H3
InChIKeySWYHKFFVXDKIIW-UHFFFAOYSA-N
XLogP2.84
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 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 ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate (CID 57391817) is ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O.
What is the InChIKey of ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The InChIKey is SWYHKFFVXDKIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-5-24-18(22)13-12-8-11(23-4)6-7-19(12)15-14(13)16(20)9(2)10(3)17(15)21/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 57391817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).