ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate

C30H31N3O3 — CID 58656578

IUPACethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2[nH]c3ccccc3c2-c2ccccc2)CC1CC
InChIInChI=1S/C30H31N3O3/c1-5-22-18-32(25-16-19(3)20(4)17-26(25)33(22)30(35)36-6-2)29(34)28-27(21-12-8-7-9-13-21)23-14-10-11-15-24(23)31-28/h7-17,22,31H,5-6,18H2,1-4H3
InChIKeyOLQZLYCQMUEZCV-UHFFFAOYSA-N
MW481.60 g/mol
LogP6.85
Rot. Bonds4

About ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate

ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656578) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656578
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Nameethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2[nH]c3ccccc3c2-c2ccccc2)CC1CC
InChIInChI=1S/C30H31N3O3/c1-5-22-18-32(25-16-19(3)20(4)17-26(25)33(22)30(35)36-6-2)29(34)28-27(21-12-8-7-9-13-21)23-14-10-11-15-24(23)31-28/h7-17,22,31H,5-6,18H2,1-4H3
InChIKeyOLQZLYCQMUEZCV-UHFFFAOYSA-N
XLogP6.85
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 58656578) is ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2[nH]c3ccccc3c2-c2ccccc2)CC1CC.
What is the InChIKey of ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is OLQZLYCQMUEZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-5-22-18-32(25-16-19(3)20(4)17-26(25)33(22)30(35)36-6-2)29(34)28-27(21-12-8-7-9-13-21)23-14-10-11-15-24(23)31-28/h7-17,22,31H,5-6,18H2,1-4H3.
What are the key properties of ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 481.60 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).