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

C18H11NO4 — CID 523214

IUPACmethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H11NO4/c1-23-18(22)13-12-8-4-5-9-19(12)15-14(13)16(20)10-6-2-3-7-11(10)17(15)21/h2-9H,1H3
InChIKeyHJDHYWBGLVTHKF-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.50
Rot. Bonds1

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

methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (PubChem CID 523214) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.

Molecular Properties

Compound Namemethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
PubChem CID523214
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Namemethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H11NO4/c1-23-18(22)13-12-8-4-5-9-19(12)15-14(13)16(20)10-6-2-3-7-11(10)17(15)21/h2-9H,1H3
InChIKeyHJDHYWBGLVTHKF-UHFFFAOYSA-N
XLogP2.50
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.50
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 methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The IUPAC name of methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (CID 523214) is methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.
What is the SMILES notation for methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The canonical SMILES for methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is COC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The InChIKey is HJDHYWBGLVTHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c1-23-18(22)13-12-8-4-5-9-19(12)15-14(13)16(20)10-6-2-3-7-11(10)17(15)21/h2-9H,1H3.
What are the key properties of methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is sourced from PubChem (CID 523214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).