7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid

C26H19N3O3 — CID 90669982

IUPAC7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21
InChIInChI=1S/C26H19N3O3/c1-2-29-15-18(26(31)32)25(30)21-20(29)14-13-19-24(21)28-23(17-11-7-4-8-12-17)22(27-19)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,31,32)
InChIKeyCQDQQVCYOSJOIQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.00
Rot. Bonds4

About 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid

7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid (PubChem CID 90669982) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid
PubChem CID90669982
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21
InChIInChI=1S/C26H19N3O3/c1-2-29-15-18(26(31)32)25(30)21-20(29)14-13-19-24(21)28-23(17-11-7-4-8-12-17)22(27-19)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,31,32)
InChIKeyCQDQQVCYOSJOIQ-UHFFFAOYSA-N
XLogP5.00
TPSA85.08 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 ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid?
The IUPAC name of 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid (CID 90669982) is 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid.
What is the SMILES notation for 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid?
The canonical SMILES for 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21.
What is the InChIKey of 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid?
The InChIKey is CQDQQVCYOSJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-2-29-15-18(26(31)32)25(30)21-20(29)14-13-19-24(21)28-23(17-11-7-4-8-12-17)22(27-19)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,31,32).
What are the key properties of 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid?
7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid has a molecular weight of 421.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-10-oxo-2,3-diphenylpyrido[3,2-f]quinoxaline-9-carboxylic acid is sourced from PubChem (CID 90669982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).