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

HCID 63449

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Basic information

CAS: 35739-53-8
Standard SMILES: CCN(CC)CC#CCn1cnc2cc(OC)ccc2c1=O.O=C(O)C(=O)O
InChIKey: IGBYAICAZYMXFA-UHFFFAOYSA-N
Molecular formula: C19H23N3O6
Average molar mass: 389.4 g/mol
Monoisotopic mass: 389.15868546

Names & identifiers

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

Names & synonyms

4(3H)-Quinazolinone, 3-(4-(diethylamino)-2-butynyl)-7-methoxy-, oxalate (1:1)35739-53-8DTXSID901892773-(4-(Diethylamino)-2-butynyl)-7-methoxy-4(3H)-quinazolinone oxalateRefChem:284062DTXCID20111768Oxalic acid--3-[4-(diethylamino)but-2-yn-1-yl]-7-methoxyquinazolin-4(3H)-one (1/1)

Database identifiers

CAS: 35739-53-8
PubChem CID: 63449
DTXSID: DTXSID90189277

Properties

Computed structural properties

Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 544

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