dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate

C23H24N2O7 — CID 118723974

IUPACdimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(N(C)C)ccn2c1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H24N2O7/c1-24(2)14-9-10-25-15(12-14)18(22(27)31-5)19(23(28)32-6)20(25)21(26)13-7-8-16(29-3)17(11-13)30-4/h7-12H,1-6H3
InChIKeySYSANJQJRORTEW-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.83
Rot. Bonds7

About dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate

dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate (PubChem CID 118723974) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate
PubChem CID118723974
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namedimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(N(C)C)ccn2c1C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H24N2O7/c1-24(2)14-9-10-25-15(12-14)18(22(27)31-5)19(23(28)32-6)20(25)21(26)13-7-8-16(29-3)17(11-13)30-4/h7-12H,1-6H3
InChIKeySYSANJQJRORTEW-UHFFFAOYSA-N
XLogP2.83
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 4188652
dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 4188650
dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 11451009
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide
CID 20994575
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
CID 73013849
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate
CID 172869627
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200563
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate (CID 118723974) is dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate is COC(=O)c1c(C(=O)OC)c2cc(N(C)C)ccn2c1C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate?
The InChIKey is SYSANJQJRORTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-24(2)14-9-10-25-15(12-14)18(22(27)31-5)19(23(28)32-6)20(25)21(26)13-7-8-16(29-3)17(11-13)30-4/h7-12H,1-6H3.
What are the key properties of dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate?
dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate has a molecular weight of 440.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(3,4-dimethoxybenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate is sourced from PubChem (CID 118723974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).