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

C19H13NO5 — CID 57398798

IUPACmethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H13NO5/c1-24-10-7-8-20-13(9-10)14(19(23)25-2)15-16(20)18(22)12-6-4-3-5-11(12)17(15)21/h3-9H,1-2H3
InChIKeyUHTMAZRWXAPGRH-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.51
Rot. Bonds2

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

methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (PubChem CID 57398798) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
PubChem CID57398798
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Namemethyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SMILESCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H13NO5/c1-24-10-7-8-20-13(9-10)14(19(23)25-2)15-16(20)18(22)12-6-4-3-5-11(12)17(15)21/h3-9H,1-2H3
InChIKeyUHTMAZRWXAPGRH-UHFFFAOYSA-N
XLogP2.51
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The IUPAC name of methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate (CID 57398798) is methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The canonical SMILES for methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is COC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
The InChIKey is UHTMAZRWXAPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c1-24-10-7-8-20-13(9-10)14(19(23)25-2)15-16(20)18(22)12-6-4-3-5-11(12)17(15)21/h3-9H,1-2H3.
What are the key properties of methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate?
methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate is sourced from PubChem (CID 57398798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).