ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate

C20H15NO5 — CID 57400472

IUPACethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H15NO5/c1-3-26-20(24)15-14-10-11(25-2)8-9-21(14)17-16(15)18(22)12-6-4-5-7-13(12)19(17)23/h4-10H,3H2,1-2H3
InChIKeyCORKRJLKKMTFGT-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.90
Rot. Bonds3

About ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate

ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (PubChem CID 57400472) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
PubChem CID57400472
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Nameethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H15NO5/c1-3-26-20(24)15-14-10-11(25-2)8-9-21(14)17-16(15)18(22)12-6-4-5-7-13(12)19(17)23/h4-10H,3H2,1-2H3
InChIKeyCORKRJLKKMTFGT-UHFFFAOYSA-N
XLogP2.90
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-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

Ssr128129E
CID 68853159
6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
CID 273769
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 14900032
6,11-Dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylic acid
CID 261602
3-[2-Ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-7-yl]oxypropanoic acid
CID 10576315
4-[2-Ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-7-yl]oxybutanoic acid
CID 10672505
Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate
CID 406009
Methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 523214
Propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 757402
Ethyl 7-methyl-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 44567524
2-Amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate
CID 71306373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The IUPAC name of ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (CID 57400472) is ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The canonical SMILES for ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is CCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The InChIKey is CORKRJLKKMTFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c1-3-26-20(24)15-14-10-11(25-2)8-9-21(14)17-16(15)18(22)12-6-4-5-7-13(12)19(17)23/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate has a molecular weight of 349.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is sourced from PubChem (CID 57400472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).