ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate

C26H19N3O3 — CID 15192374

IUPACethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O
InChIInChI=1S/C26H19N3O3/c1-2-32-26(31)18-15-27-19-13-14-20-24(21(19)25(18)30)29-23(17-11-7-4-8-12-17)22(28-20)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,27,30)
InChIKeyBEOXUFMCXRJKOL-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.98
Rot. Bonds4

About ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate

ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate (PubChem CID 15192374) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate.

Molecular Properties

Compound Nameethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate
PubChem CID15192374
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Nameethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O
InChIInChI=1S/C26H19N3O3/c1-2-32-26(31)18-15-27-19-13-14-20-24(21(19)25(18)30)29-23(17-11-7-4-8-12-17)22(28-20)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,27,30)
InChIKeyBEOXUFMCXRJKOL-UHFFFAOYSA-N
XLogP4.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(8-Ethoxycarbonyl-10-methyl-7-oxo-1,10-phenanthrolin-5-yl)azinic acid
CID 142621092
(8-Ethoxycarbonyl-10-ethyl-7-oxo-1,10-phenanthrolin-5-yl)azinic acid
CID 142621093
ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
CID 327508
Ethyl 7-butyl-10-oxo-2,3-diphenyl-pyrido[3,2-f]quinoxaline-9-carboxylate
CID 90671798
Ethyl 7-[(4-fluorophenyl)methyl]-10-oxo-2,3-diphenyl-pyrido[3,2-f]quinoxaline-9-carboxylate
CID 90671800
Ethyl 2,3-bis(4-fluorophenyl)-10-oxo-7-(2,2,2-trifluoroethyl)pyrido[3,2-f]quinoxaline-9-carboxylate
CID 90671803
Ethyl 2,3-bis(4-fluorophenyl)-7-[(4-fluorophenyl)methyl]-10-oxo-pyrido[3,2-f]quinoxaline-9-carboxylate
CID 90671806
Diethyl 2-[[(2,3-diphenylquinoxalin-6-yl)amino]methylene]propanedioate
CID 15192733
Ethyl 1-ethyl-4-oxo-1,10-phenanthroline-3-carboxylate
CID 12840762
Ethyl 6-amino-1-methyl-4-oxo-1,10-phenanthroline-3-carboxylate
CID 142621101
Ethyl 1-methyl-4-oxo-1,10-phenanthroline-3-carboxylate
CID 142621105
Ethyl 6-amino-1-ethyl-4-oxo-1,10-phenanthroline-3-carboxylate
CID 142621111

Frequently Asked Questions

What is the IUPAC name of ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate?
The IUPAC name of ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate (CID 15192374) is ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate.
What is the SMILES notation for ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate?
The canonical SMILES for ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate is CCOC(=O)c1c[nH]c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O.
What is the InChIKey of ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate?
The InChIKey is BEOXUFMCXRJKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-2-32-26(31)18-15-27-19-13-14-20-24(21(19)25(18)30)29-23(17-11-7-4-8-12-17)22(28-20)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,27,30).
What are the key properties of ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate?
ethyl 10-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate has a molecular weight of 421.46 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-oxo-2,3-diphenyl-7H-pyrido[3,2-f]quinoxaline-9-carboxylate is sourced from PubChem (CID 15192374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).