methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate

C23H25NO6 — CID 2421557

IUPACmethyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate
SMILESCOC(=O)CCc1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccn12
InChIInChI=1S/C23H25NO6/c1-14-16(9-10-20(25)29-4)24-11-7-6-8-17(24)21(14)22(26)15-12-18(27-2)23(30-5)19(13-15)28-3/h6-8,11-13H,9-10H2,1-5H3
InChIKeySVDOKMCTKFPRGA-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.61
Rot. Bonds8

About methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate

methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate (PubChem CID 2421557) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate
PubChem CID2421557
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Namemethyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate
SMILESCOC(=O)CCc1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccn12
InChIInChI=1S/C23H25NO6/c1-14-16(9-10-20(25)29-4)24-11-7-6-8-17(24)21(14)22(26)15-12-18(27-2)23(30-5)19(13-15)28-3/h6-8,11-13H,9-10H2,1-5H3
InChIKeySVDOKMCTKFPRGA-UHFFFAOYSA-N
XLogP3.61
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate?
The IUPAC name of methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate (CID 2421557) is methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate?
The canonical SMILES for methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate is COC(=O)CCc1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccn12.
What is the InChIKey of methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate?
The InChIKey is SVDOKMCTKFPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-14-16(9-10-20(25)29-4)24-11-7-6-8-17(24)21(14)22(26)15-12-18(27-2)23(30-5)19(13-15)28-3/h6-8,11-13H,9-10H2,1-5H3.
What are the key properties of methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate?
methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate has a molecular weight of 411.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate is sourced from PubChem (CID 2421557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).