ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate

C26H24N2O4 — CID 10180975

IUPACethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc(CC)n2c1Cc1c([nH]c3ccccc13)C2c1ccc2c(c1)OCO2
InChIInChI=1S/C26H24N2O4/c1-3-16-12-19(26(29)30-4-2)21-13-18-17-7-5-6-8-20(17)27-24(18)25(28(16)21)15-9-10-22-23(11-15)32-14-31-22/h5-12,25,27H,3-4,13-14H2,1-2H3
InChIKeyOMCTUOMYOGJQIU-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.98
Rot. Bonds4

About ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate

ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate (PubChem CID 10180975) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate
PubChem CID10180975
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc(CC)n2c1Cc1c([nH]c3ccccc13)C2c1ccc2c(c1)OCO2
InChIInChI=1S/C26H24N2O4/c1-3-16-12-19(26(29)30-4-2)21-13-18-17-7-5-6-8-20(17)27-24(18)25(28(16)21)15-9-10-22-23(11-15)32-14-31-22/h5-12,25,27H,3-4,13-14H2,1-2H3
InChIKeyOMCTUOMYOGJQIU-UHFFFAOYSA-N
XLogP4.98
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-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

diethyl 10-(1,3-benzodioxol-5-yl)-1-methyl-9,10-dihydro-4H-indolizino[6,7-b]indole-2,3-dicarboxylate
CID 10277859
ethyl 10-(1,3-benzodioxol-5-yl)-9,10-dihydro-4H-indolizino[6,7-b]indole-2-carboxylate
CID 10294405
10-(1,3-benzodioxol-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxamide
CID 10278552
5-[(10R)-10-(1,3-benzodioxol-5-yl)-3-cyano-1-methyl-9,10-dihydro-4H-indolizino[6,7-b]indol-2-yl]pentanoic acid
CID 10205263
1-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenylpropan-1-one
CID 10137169
[(1S)-1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone
CID 1278097
1-[(1R)-1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-chloroethanone
CID 143547397
methyl 1-(1,3-benzodioxol-5-yl)-2-(3-chloropropanoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 165429003
[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone
CID 4273990
[(1S)-1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone
CID 7651201
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2,2,2-trichloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 175673437
N-[2-[(1R)-1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]-N-methylacetamide
CID 143445401

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate?
The IUPAC name of ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate (CID 10180975) is ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate?
The canonical SMILES for ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate is CCOC(=O)c1cc(CC)n2c1Cc1c([nH]c3ccccc13)C2c1ccc2c(c1)OCO2.
What is the InChIKey of ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate?
The InChIKey is OMCTUOMYOGJQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-16-12-19(26(29)30-4-2)21-13-18-17-7-5-6-8-20(17)27-24(18)25(28(16)21)15-9-10-22-23(11-15)32-14-31-22/h5-12,25,27H,3-4,13-14H2,1-2H3.
What are the key properties of ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate?
ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(1,3-benzodioxol-5-yl)-1-ethyl-9,10-dihydro-4H-indolizino[6,7-b]indole-3-carboxylate is sourced from PubChem (CID 10180975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).