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

C20H15NO4 — CID 757402

IUPACpropan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCC(C)OC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H15NO4/c1-11(2)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/h3-11H,1-2H3
InChIKeyHQMXVEISGVMDCV-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.28
Rot. Bonds2

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

propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (PubChem CID 757402) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
PubChem CID757402
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Namepropan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCC(C)OC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H15NO4/c1-11(2)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/h3-11H,1-2H3
InChIKeyHQMXVEISGVMDCV-UHFFFAOYSA-N
XLogP3.28
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The IUPAC name of propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (CID 757402) is propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.
What is the SMILES notation for propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The canonical SMILES for propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is CC(C)OC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The InChIKey is HQMXVEISGVMDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-11(2)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/h3-11H,1-2H3.
What are the key properties of propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is sourced from PubChem (CID 757402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).