Compound C22H27N3O5

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

CAS: 23905-33-1

Molecular Formula	`C22H27N3O5`
Molecular Weight	413.5 g/mol
Topological Polar Surface Area	111.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	413.19507
Heavy Atoms	30
Complexity	607.0

Chemical Identifiers

CAS Number	23905-33-1
SMILES	`CCCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O`
InChIKey	`PMKBVHQATGUCEQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H27N3O5 (CAS: 23905-33-1) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.5 g/mol. Its IUPAC systematic name is 2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one;oxalic acid. Topological Polar Surface Area 111.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 413.19507 Heavy Atoms 30 Complexity 607.0 InChI Key: PMKBVHQATGUCEQ-UHFFFAOYSA-N. SMILES: CCCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O.

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