4(3H)-Quinazolinone, 3-(4-(diethylamino)-2-butynyl)-7-ethoxy-, oxalate (1:1)

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Basic information

CAS: 35739-54-9
Standard SMILES: CCOc1ccc2c(=O)n(CC#CCN(CC)CC)cnc2c1.O=C(O)C(=O)O
InChIKey: UZERSOBACRZFCO-UHFFFAOYSA-N
Molecular formula: C20H25N3O6
Average molar mass: 403.4 g/mol
Monoisotopic mass: 403.17433553

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(4-(diethylamino)-2-butynyl)-7-ethoxy-, oxalate (1:1)
IUPAC: 3-[4-(diethylamino)but-2-ynyl]-7-ethoxyquinazolin-4-one;oxalic acid

Names & synonyms

35739-54-93-(4-(Diethylamino)-2-butynyl)-7-ethoxy-4(3H)-quinazolinone oxalate4(3H)-Quinazolinone, 3-(4-(diethylamino)-2-butynyl)-7-ethoxy-, oxalate (1:1)DTXSID50189278RefChem:284061DTXCID80111769Oxalic acid--3-[4-(diethylamino)but-2-yn-1-yl]-7-ethoxyquinazolin-4(3H)-one (1/1)

Database identifiers

CAS: 35739-54-9
PubChem CID: 63765
DTXSID: DTXSID50189278

Properties

Computed structural properties

Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 559

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Compound notes

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