ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate

C26H26N4O3 — CID 146476168

IUPACethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)cc2c1C
InChIInChI=1S/C26H26N4O3/c1-3-33-26(32)24-16(2)19-13-17(7-9-20(19)29-24)23-15-27-21-10-8-18(14-22(21)28-23)25(31)30-11-5-4-6-12-30/h7-10,13-15,29H,3-6,11-12H2,1-2H3
InChIKeySOQNKRXAASAZAC-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.89
Rot. Bonds4

About ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate

ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate (PubChem CID 146476168) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate
PubChem CID146476168
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Nameethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)cc2c1C
InChIInChI=1S/C26H26N4O3/c1-3-33-26(32)24-16(2)19-13-17(7-9-20(19)29-24)23-15-27-21-10-8-18(14-22(21)28-23)25(31)30-11-5-4-6-12-30/h7-10,13-15,29H,3-6,11-12H2,1-2H3
InChIKeySOQNKRXAASAZAC-UHFFFAOYSA-N
XLogP4.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-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 ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate (CID 146476168) is ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(-c3cnc4ccc(C(=O)N5CCCCC5)cc4n3)cc2c1C.
What is the InChIKey of ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate?
The InChIKey is SOQNKRXAASAZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-3-33-26(32)24-16(2)19-13-17(7-9-20(19)29-24)23-15-27-21-10-8-18(14-22(21)28-23)25(31)30-11-5-4-6-12-30/h7-10,13-15,29H,3-6,11-12H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate?
ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate has a molecular weight of 442.52 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxylate is sourced from PubChem (CID 146476168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).