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

C19H19NO4 — CID 57402275

IUPACethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C19H19NO4/c1-5-12-7-8-20-13(9-12)14(19(23)24-6-2)15-16(20)18(22)11(4)10(3)17(15)21/h7-9H,5-6H2,1-4H3
InChIKeyGCLMLBZLGAXNRG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.39
Rot. Bonds3

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

ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate (PubChem CID 57402275) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
PubChem CID57402275
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)C(C)=C(C)C2=O
InChIInChI=1S/C19H19NO4/c1-5-12-7-8-20-13(9-12)14(19(23)24-6-2)15-16(20)18(22)11(4)10(3)17(15)21/h7-9H,5-6H2,1-4H3
InChIKeyGCLMLBZLGAXNRG-UHFFFAOYSA-N
XLogP3.39
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2,4,6-triethylbenzoate
CID 12702183
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
ethyl 7-benzyl-3-(4-chlorobenzoyl)-2-phenylindolizine-1-carboxylate
CID 51056238
ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate
CID 86231081
diethyl 2-[[4-[[1,3-bis(ethoxycarbonyl)-7-methylindolizin-2-yl]sulfanylmethyl]phenyl]methylsulfanyl]-7-methylindolizine-1,3-dicarboxylate
CID 11083100
diethyl 1,2,3,4-tetrahydropyrido[1,2-a]indole-8,10-dicarboxylate
CID 101428187
diethyl 2-[2-[1,3-bis(ethoxycarbonyl)-7-methylindolizin-2-yl]sulfanylethylsulfanyl]-7-methylindolizine-1,3-dicarboxylate
CID 11006762
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate (CID 57402275) is ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)C(C)=C(C)C2=O.
What is the InChIKey of ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
The InChIKey is GCLMLBZLGAXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-5-12-7-8-20-13(9-12)14(19(23)24-6-2)15-16(20)18(22)11(4)10(3)17(15)21/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate?
ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 57402275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).