methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate

C20H19NO5 — CID 3309986

IUPACmethyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2ccc(OC)cc2OC)n2ccc(C)cc12
InChIInChI=1S/C20H19NO5/c1-12-7-8-21-16(9-12)15(20(23)26-4)11-17(21)19(22)14-6-5-13(24-2)10-18(14)25-3/h5-11H,1-4H3
InChIKeyLPWNAMJAMJUFPG-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.28
Rot. Bonds5

About methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate

methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate (PubChem CID 3309986) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate
PubChem CID3309986
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2ccc(OC)cc2OC)n2ccc(C)cc12
InChIInChI=1S/C20H19NO5/c1-12-7-8-21-16(9-12)15(20(23)26-4)11-17(21)19(22)14-6-5-13(24-2)10-18(14)25-3/h5-11H,1-4H3
InChIKeyLPWNAMJAMJUFPG-UHFFFAOYSA-N
XLogP3.28
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methoxy-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 16545427
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
ethyl 7-methoxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043147
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
CID 101049424
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate?
The IUPAC name of methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate (CID 3309986) is methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate?
The canonical SMILES for methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate is COC(=O)c1cc(C(=O)c2ccc(OC)cc2OC)n2ccc(C)cc12.
What is the InChIKey of methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate?
The InChIKey is LPWNAMJAMJUFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12-7-8-21-16(9-12)15(20(23)26-4)11-17(21)19(22)14-6-5-13(24-2)10-18(14)25-3/h5-11H,1-4H3.
What are the key properties of methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate?
methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate is sourced from PubChem (CID 3309986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).