Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate

HCID 288573

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Basic information

CAS: 58735-04-9
Standard SMILES: COC(=O)C12CC=CCC1C(=O)NC(NC(C)=O)=N2
InChIKey: QXNSYMSDXFVRAP-UHFFFAOYSA-N
Molecular formula: C12H15N3O4
Average molar mass: 265.26 g/mol
Monoisotopic mass: 265.10625597

Names & identifiers

Preferred name: Methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylate
IUPAC: methyl 2-acetamido-4-oxo-3,4a,5,8-tetrahydroquinazoline-8a-carboxylate

Names & synonyms

58735-04-9methyl 2-(acetylamino)-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3h)-carboxylateNSC149838DTXSID20302250NSC-149838Methyl 2-acetamido-4-oxo-4,4a,5,8-tetrahydroquinazoline-8a(3H)-carboxylate

Database identifiers

CAS: 58735-04-9
PubChem CID: 288573
DTXSID: DTXSID20302250

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 96.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 497

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