methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate

C24H22N4O6 — CID 58747115

IUPACmethyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)NCCOC(C)=O)ccc4[nH]3)cc2[nH]1
InChIInChI=1S/C24H22N4O6/c1-13(29)34-8-7-25-22(30)15-4-6-18-16(9-15)11-20(27-18)23(31)26-17-5-3-14-10-21(24(32)33-2)28-19(14)12-17/h3-6,9-12,27-28H,7-8H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyVQDWTIRBQYGNIT-UHFFFAOYSA-N
MW462.46 g/mol
LogP2.98
Rot. Bonds7

About methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate

methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate (PubChem CID 58747115) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate
PubChem CID58747115
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Namemethyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)NCCOC(C)=O)ccc4[nH]3)cc2[nH]1
InChIInChI=1S/C24H22N4O6/c1-13(29)34-8-7-25-22(30)15-4-6-18-16(9-15)11-20(27-18)23(31)26-17-5-3-14-10-21(24(32)33-2)28-19(14)12-17/h3-6,9-12,27-28H,7-8H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyVQDWTIRBQYGNIT-UHFFFAOYSA-N
XLogP2.98
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate (CID 58747115) is methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate is COC(=O)c1cc2ccc(NC(=O)c3cc4cc(C(=O)NCCOC(C)=O)ccc4[nH]3)cc2[nH]1.
What is the InChIKey of methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate?
The InChIKey is VQDWTIRBQYGNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-13(29)34-8-7-25-22(30)15-4-6-18-16(9-15)11-20(27-18)23(31)26-17-5-3-14-10-21(24(32)33-2)28-19(14)12-17/h3-6,9-12,27-28H,7-8H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate?
methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate has a molecular weight of 462.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-(2-acetyloxyethylcarbamoyl)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 58747115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).