oxalic acid2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one

oxalic acid;2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one

CAS: 23905-32-0

Molecular Formula	`C21H25N3O5`
Molecular Weight	399.4 g/mol
Topological Polar Surface Area	111.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	399.1794
Heavy Atoms	29
Complexity	593.0

Chemical Identifiers

CAS Number	23905-32-0
SMILES	`CCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O`
InChIKey	`NXQJYLGABYPGTP-UHFFFAOYSA-N`

📖 Product Overview

oxalic acid2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one (CAS: 23905-32-0) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.4 g/mol. Its IUPAC systematic name is oxalic acid;2-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one. Topological Polar Surface Area 111.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 399.1794 Heavy Atoms 29 Complexity 593.0 InChI Key: NXQJYLGABYPGTP-UHFFFAOYSA-N. SMILES: CCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O.

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