4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)butyl)-, oxalate (1:2)

HCID 64061

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Basic information

CAS: 35729-52-3
Standard SMILES: CCCCOc1ccc2c(=O)n(CCCCN(CC)CC)cnc2c1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIKey: BQLZMJXFKBHDTH-UHFFFAOYSA-N
Molecular formula: C24H35N3O10
Average molar mass: 525.5 g/mol
Monoisotopic mass: 525.23224432

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)butyl)-, oxalate (1:2)
IUPAC: 7-butoxy-3-[4-(diethylamino)butyl]quinazolin-4-one;oxalic acid

Names & synonyms

35729-52-34(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)butyl)-, oxalate (1:2)7-Butoxy-3-(4-(diethylamino)butyl)-4(3H)-quinazolinone oxalate (1:2)DTXSID901892727-n-Butoxy-3-(4-diethylaminobutyl)-3,4-dihydro-4-oxoquinazoline dioxalateRefChem:284319DTXCID20111763Oxalic acid--7-butoxy-3-[4-(diethylamino)butyl]quinazolin-4(3H)-one (2/1)

Database identifiers

CAS: 35729-52-3
PubChem CID: 64061
DTXSID: DTXSID90189272

Properties

Computed structural properties

Topological polar surface area: 194 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 13
Heavy atoms: 37
Formal charge: 0
Complexity: 495

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