Compound C21H17N3O5

4-[3-(2-methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoic acid

CAS: 69557-23-9

Molecular Formula	`C21H17N3O5`
Molecular Weight	391.4 g/mol
LogP	1.4
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	391.11682
Heavy Atoms	29
Complexity	755.0

Chemical Identifiers

CAS Number	69557-23-9
SMILES	`CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O`
InChIKey	`ZBPIVKXLYMHYHV-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H17N3O5 (CAS: 69557-23-9) is a chemical compound with molecular formula C21H17N3O5 and molecular weight 391.4 g/mol. Its IUPAC systematic name is 4-[3-(2-methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoic acid. LogP 1.4 Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 391.11682 Heavy Atoms 29 Complexity 755.0 InChI Key: ZBPIVKXLYMHYHV-UHFFFAOYSA-N. SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O.

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