Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate

HCID 369885

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Basic information

Standard SMILES: CCCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)OCCC
InChIKey: VNKIRUGRQZDJIX-UHFFFAOYSA-N
Molecular formula: C30H32N4O5S
Average molar mass: 560.7 g/mol
Monoisotopic mass: 560.20934131

Names & identifiers

Preferred name: Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate
IUPAC: dipropyl 2-[[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate

Names & synonyms

NSC642079CHEMBL1978273SCHEMBL14027298NSC-642079Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioateNCI60_014280dipropyl 2-[[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate

Database identifiers

PubChem CID: 369885
ChEMBL: CHEMBL1978273
Nikkaji: J848.670K

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 148 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 15
Heavy atoms: 40
Formal charge: 0
Complexity: 824

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