methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C18H19NO5 — CID 71733849

IUPACmethyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2OC)c(=O)n2c1CCC2
InChIInChI=1S/C18H19NO5/c1-22-15-8-4-6-11(16(15)23-2)12-10-13(18(21)24-3)14-7-5-9-19(14)17(12)20/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyWSLIYNHGGDMVBF-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.27
Rot. Bonds4

About methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 71733849) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID71733849
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2OC)c(=O)n2c1CCC2
InChIInChI=1S/C18H19NO5/c1-22-15-8-4-6-11(16(15)23-2)12-10-13(18(21)24-3)14-7-5-9-19(14)17(12)20/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyWSLIYNHGGDMVBF-UHFFFAOYSA-N
XLogP2.27
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 71734042
methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 10683917
ethane;methyl 6-[(2-bromophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 145302341
methyl 6-(4-nitroanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 34179084
methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 122164337
methyl 3-oxaldehydoyloxy-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 156697134
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141341
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 71733849) is methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is COC(=O)c1cc(-c2cccc(OC)c2OC)c(=O)n2c1CCC2.
What is the InChIKey of methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is WSLIYNHGGDMVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-15-8-4-6-11(16(15)23-2)12-10-13(18(21)24-3)14-7-5-9-19(14)17(12)20/h4,6,8,10H,5,7,9H2,1-3H3.
What are the key properties of methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 71733849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).