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

C20H15NO4 — CID 102335805

IUPACpropyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H15NO4/c1-2-11-25-20(24)15-14-9-5-6-10-21(14)17-16(15)18(22)12-7-3-4-8-13(12)19(17)23/h3-10H,2,11H2,1H3
InChIKeyUDUBPZRZZDJKDV-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.28
Rot. Bonds3

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

propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (PubChem CID 102335805) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.

Molecular Properties

Compound Namepropyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
PubChem CID102335805
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Namepropyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H15NO4/c1-2-11-25-20(24)15-14-9-5-6-10-21(14)17-16(15)18(22)12-7-3-4-8-13(12)19(17)23/h3-10H,2,11H2,1H3
InChIKeyUDUBPZRZZDJKDV-UHFFFAOYSA-N
XLogP3.28
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.28
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

N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide
CID 1090906
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione
CID 7728366
11-acetylindolizino[3,2-g]quinoline-5,12-dione
CID 44567516
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599
ethyl 2-(2-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3700050
dibutyl 3-benzoylindolizine-1,2-dicarboxylate
CID 141260266
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
propyl 2-carbazol-9-ylpropanoate
CID 20752206
ethyl 8-ethyl-2,3-dimethyl-1,4-dioxopyrido[1,2-a]indole-10-carboxylate
CID 57402275
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
butyl 9,10-dioxoanthracene-1-carboxylate
CID 18098381

Frequently Asked Questions

What is the IUPAC name of propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The IUPAC name of propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (CID 102335805) is propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.
What is the SMILES notation for propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The canonical SMILES for propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is CCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The InChIKey is UDUBPZRZZDJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-2-11-25-20(24)15-14-9-5-6-10-21(14)17-16(15)18(22)12-7-3-4-8-13(12)19(17)23/h3-10H,2,11H2,1H3.
What are the key properties of propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is sourced from PubChem (CID 102335805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).