sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate

C23H16NNaO4 — CID 23670330

IUPACsodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
SMILESCOc1ccc(-c2cc3cc(C(=O)[O-])ccn3c2C(=O)c2ccccc2)cc1.[Na+]
InChIInChI=1S/C23H17NO4.Na/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16;/h2-14H,1H3,(H,26,27);/q;+1/p-1
InChIKeyPEDYNYMGAFQKIS-UHFFFAOYSA-M
MW393.37 g/mol
LogP0.21
Rot. Bonds5

About sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate

sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate (PubChem CID 23670330) has the molecular formula C23H16NNaO4 and a molecular weight of 393.37 g/mol. Its IUPAC name is sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namesodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
PubChem CID23670330
Molecular FormulaC23H16NNaO4
Molecular Weight393.37 g/mol
Exact Mass393.10
IUPAC Namesodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
SMILESCOc1ccc(-c2cc3cc(C(=O)[O-])ccn3c2C(=O)c2ccccc2)cc1.[Na+]
InChIInChI=1S/C23H17NO4.Na/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16;/h2-14H,1H3,(H,26,27);/q;+1/p-1
InChIKeyPEDYNYMGAFQKIS-UHFFFAOYSA-M
XLogP0.21
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_I(1)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate
CID 45034959
sodium;3-benzoyl-2-phenylindolizine-6-carboxylate;hydrate
CID 44655568
[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
CID 4067347
(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
CID 5305001
3-[4-[3-(dibutylamino)propoxy]benzoyl]-2-phenylindolizine-7-carboxylic acid
CID 19754424
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
CID 170222187
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891

Frequently Asked Questions

What is the IUPAC name of sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate?
The IUPAC name of sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate (CID 23670330) is sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate.
What is the SMILES notation for sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate?
The canonical SMILES for sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate is COc1ccc(-c2cc3cc(C(=O)[O-])ccn3c2C(=O)c2ccccc2)cc1.[Na+].
What is the InChIKey of sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate?
The InChIKey is PEDYNYMGAFQKIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17NO4.Na/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16;/h2-14H,1H3,(H,26,27);/q;+1/p-1.
What are the key properties of sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate?
sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate has a molecular weight of 393.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate is sourced from PubChem (CID 23670330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).