ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate

C20H15NO5 — CID 101076102

IUPACethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
SMILESCCOC(=O)c1c2c(c3ccccn13)C(=O)c1cc(OC)ccc1C2=O
InChIInChI=1S/C20H15NO5/c1-3-26-20(24)17-16-15(14-6-4-5-9-21(14)17)19(23)13-10-11(25-2)7-8-12(13)18(16)22/h4-10H,3H2,1-2H3
InChIKeyKCZVTYSHERWSBC-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.90
Rot. Bonds3

About ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate

ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate (PubChem CID 101076102) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate.

Molecular Properties

Compound Nameethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
PubChem CID101076102
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Nameethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
SMILESCCOC(=O)c1c2c(c3ccccn13)C(=O)c1cc(OC)ccc1C2=O
InChIInChI=1S/C20H15NO5/c1-3-26-20(24)17-16-15(14-6-4-5-9-21(14)17)19(23)13-10-11(25-2)7-8-12(13)18(16)22/h4-10H,3H2,1-2H3
InChIKeyKCZVTYSHERWSBC-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'}

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Related Compounds

ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
ethyl 2-(2,4-dichlorophenyl)-1-nitroindolizine-3-carboxylate
CID 50901568
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172
[2-amino-1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(4-ethoxyphenyl)methanone
CID 23605028
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
CID 132502553
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
diethyl 1-nitroindolizine-2,3-dicarboxylate
CID 139235404
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951

Frequently Asked Questions

What is the IUPAC name of ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
The IUPAC name of ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate (CID 101076102) is ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate.
What is the SMILES notation for ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
The canonical SMILES for ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate is CCOC(=O)c1c2c(c3ccccn13)C(=O)c1cc(OC)ccc1C2=O.
What is the InChIKey of ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
The InChIKey is KCZVTYSHERWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c1-3-26-20(24)17-16-15(14-6-4-5-9-21(14)17)19(23)13-10-11(25-2)7-8-12(13)18(16)22/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate?
ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-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 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate is sourced from PubChem (CID 101076102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).