5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid

C22H25NO6 — CID 134340998

IUPAC5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
SMILESCOc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)OC)n3c2)cc(OC)c1OC
InChIInChI=1S/C22H25NO6/c1-12-17(22(24)25)10-16-7-15(11-23(16)20(12)13(2)26-3)14-8-18(27-4)21(29-6)19(9-14)28-5/h7-11,13H,1-6H3,(H,24,25)
InChIKeyBWZPYJGCONGORH-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.35
Rot. Bonds7

About 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid

5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid (PubChem CID 134340998) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
PubChem CID134340998
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
SMILESCOc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)OC)n3c2)cc(OC)c1OC
InChIInChI=1S/C22H25NO6/c1-12-17(22(24)25)10-16-7-15(11-23(16)20(12)13(2)26-3)14-8-18(27-4)21(29-6)19(9-14)28-5/h7-11,13H,1-6H3,(H,24,25)
InChIKeyBWZPYJGCONGORH-UHFFFAOYSA-N
XLogP4.35
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
CID 134340981
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
2-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]benzoic acid
CID 70358731
CID 157059531
CID 157059531
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 54345783
4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
CID 117285992
3-amino-4-methoxy-2-methyl-5-propan-2-ylbenzoic acid
CID 105480459
5-(3,4-difluoro-5-methoxyphenyl)-2-methoxy-3-methylbenzoic acid
CID 69110325
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
2,3-dimethoxy-5-methylsulfonylbenzoic acid
CID 13053688

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
The IUPAC name of 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid (CID 134340998) is 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid.
What is the SMILES notation for 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
The canonical SMILES for 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid is COc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)OC)n3c2)cc(OC)c1OC.
What is the InChIKey of 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
The InChIKey is BWZPYJGCONGORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-12-17(22(24)25)10-16-7-15(11-23(16)20(12)13(2)26-3)14-8-18(27-4)21(29-6)19(9-14)28-5/h7-11,13H,1-6H3,(H,24,25).
What are the key properties of 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid?
5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid has a molecular weight of 399.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 134340998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).