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

HCID 63232

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 35739-57-2
Standard SMILES: CCCCOc1ccc2c(=O)n(CCCN(CC)CC)cnc2c1.O=C(O)C(=O)O
InChIKey: HBUCZTPWYMZDKZ-UHFFFAOYSA-N
Molecular formula: C21H31N3O6
Average molar mass: 421.5 g/mol
Monoisotopic mass: 421.22128572

Names & identifiers

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

Names & synonyms

7-Butoxy-3-(3-(diethylamino)propyl)-4(3H)-quinazolinone oxalate4(3H)-Quinazolinone, 7-butoxy-3-(3-(diethylamino)propyl)-, oxalate (1:1)35739-57-2DTXSID80189281RefChem:284317DTXCID10111772Oxalic acid--7-butoxy-3-[3-(diethylamino)propyl]quinazolin-4(3H)-one (1/1)

Database identifiers

CAS: 35739-57-2
PubChem CID: 63232
DTXSID: DTXSID80189281

Properties

Computed structural properties

Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 30
Formal charge: 0
Complexity: 481

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…