2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate

C25H26N2O6 — CID 135076779

IUPAC2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate
SMILESCc1ccn2ccc(C(=O)OCCOCCOCCOC(=O)c3ccn4ccccc34)c2c1
InChIInChI=1S/C25H26N2O6/c1-19-5-9-27-11-7-21(23(27)18-19)25(29)33-17-15-31-13-12-30-14-16-32-24(28)20-6-10-26-8-3-2-4-22(20)26/h2-11,18H,12-17H2,1H3
InChIKeyAVALKSNWJCEUAT-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.55
Rot. Bonds11

About 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate

2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate (PubChem CID 135076779) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate.

Molecular Properties

Compound Name2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate
PubChem CID135076779
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate
SMILESCc1ccn2ccc(C(=O)OCCOCCOCCOC(=O)c3ccn4ccccc34)c2c1
InChIInChI=1S/C25H26N2O6/c1-19-5-9-27-11-7-21(23(27)18-19)25(29)33-17-15-31-13-12-30-14-16-32-24(28)20-6-10-26-8-3-2-4-22(20)26/h2-11,18H,12-17H2,1H3
InChIKeyAVALKSNWJCEUAT-UHFFFAOYSA-N
XLogP3.55
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tropisetron
CID 656665
Tropisetron hydrochloride
CID 656664
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
Dimethyl 3-phenylpyrrolo(2,1,5-cd)indolizine-1,2-dicarboxylate
CID 287811
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carboxylate
CID 11632670
2-(Dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate
CID 56589666
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methylindole-3-carboxylate
CID 16302467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate?
The IUPAC name of 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate (CID 135076779) is 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate.
What is the SMILES notation for 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate?
The canonical SMILES for 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate is Cc1ccn2ccc(C(=O)OCCOCCOCCOC(=O)c3ccn4ccccc34)c2c1.
What is the InChIKey of 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate?
The InChIKey is AVALKSNWJCEUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-19-5-9-27-11-7-21(23(27)18-19)25(29)33-17-15-31-13-12-30-14-16-32-24(28)20-6-10-26-8-3-2-4-22(20)26/h2-11,18H,12-17H2,1H3.
What are the key properties of 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate?
2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate has a molecular weight of 450.49 g/mol, XLogP of 3.55, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate is sourced from PubChem (CID 135076779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).