methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate

C19H18INO6 — CID 134573046

IUPACmethyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)c(I)c2n1C(C=O)CC2OC
InChIInChI=1S/C19H18INO6/c1-25-13-8-12(9-22)21-15(13)14(20)17(23)18(16(21)19(24)26-2)27-10-11-6-4-3-5-7-11/h3-7,9,12-13H,8,10H2,1-2H3
InChIKeySMFGJOIETJLHBI-UHFFFAOYSA-N
MW483.26 g/mol
LogP2.65
Rot. Bonds6

About methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate

methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate (PubChem CID 134573046) has the molecular formula C19H18INO6 and a molecular weight of 483.26 g/mol. Its IUPAC name is methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate
PubChem CID134573046
Molecular FormulaC19H18INO6
Molecular Weight483.26 g/mol
Exact Mass483.02
IUPAC Namemethyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)c(I)c2n1C(C=O)CC2OC
InChIInChI=1S/C19H18INO6/c1-25-13-8-12(9-22)21-15(13)14(20)17(23)18(16(21)19(24)26-2)27-10-11-6-4-3-5-7-11/h3-7,9,12-13H,8,10H2,1-2H3
InChIKeySMFGJOIETJLHBI-UHFFFAOYSA-N
XLogP2.65
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate with MolForge

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Related Compounds

1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
CID 130400183
methyl 5-bromo-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 58277229
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
methyl 5-[3-(4-fluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate
CID 157330935
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
diethyl 4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 129129880
methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 58067095
dimethyl 1-[(1S)-1-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-2-yl]-2-phenylethyl]-4-oxo-3-phenylmethoxypyridine-2,5-dicarboxylate
CID 130410605
dimethyl 4-[3,6-bis(methoxycarbonyl)-2-phenylmethoxynaphthalen-1-yl]-3-phenylmethoxynaphthalene-2,7-dicarboxylate
CID 20755865
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate?
The IUPAC name of methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate (CID 134573046) is methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate.
What is the SMILES notation for methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate?
The canonical SMILES for methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate is COC(=O)c1c(OCc2ccccc2)c(=O)c(I)c2n1C(C=O)CC2OC.
What is the InChIKey of methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate?
The InChIKey is SMFGJOIETJLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18INO6/c1-25-13-8-12(9-22)21-15(13)14(20)17(23)18(16(21)19(24)26-2)27-10-11-6-4-3-5-7-11/h3-7,9,12-13H,8,10H2,1-2H3.
What are the key properties of methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate?
methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate has a molecular weight of 483.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-8-iodo-1-methoxy-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate is sourced from PubChem (CID 134573046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).