methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C17H15F2NO4 — CID 71734042

IUPACmethyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(F)c2F)c(=O)n2c1CCC2
InChIInChI=1S/C17H15F2NO4/c1-23-13-6-5-9(14(18)15(13)19)10-8-11(17(22)24-2)12-4-3-7-20(12)16(10)21/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOSKIERAIJHGGTE-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.53
Rot. Bonds3

About methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 71734042) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID71734042
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Namemethyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(F)c2F)c(=O)n2c1CCC2
InChIInChI=1S/C17H15F2NO4/c1-23-13-6-5-9(14(18)15(13)19)10-8-11(17(22)24-2)12-4-3-7-20(12)16(10)21/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOSKIERAIJHGGTE-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate with MolForge

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Related Compounds

methyl 6-(2,3-dimethoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 71733849
methyl 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 10683917
methyl 6-(4-nitroanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 34179084
ethane;methyl 6-[(2-bromophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 145302341
methyl 3-[(2-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080218
methyl 3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 122164337
methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
CID 24814270
methyl 3-oxaldehydoyloxy-5,6,7,8-tetrahydroindolizine-1-carboxylate
CID 156697134
methyl 5-bromo-4-methoxy-2-pyrrolidin-1-ylbenzoate
CID 168513275
2-methoxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 122172141
methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
CID 163198181
N-(3-chloro-4-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904418

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 71734042) is methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is COC(=O)c1cc(-c2ccc(OC)c(F)c2F)c(=O)n2c1CCC2.
What is the InChIKey of methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is OSKIERAIJHGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-23-13-6-5-9(14(18)15(13)19)10-8-11(17(22)24-2)12-4-3-7-20(12)16(10)21/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 335.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-difluoro-4-methoxyphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 71734042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).