1-Piperazineacetamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(2,6-dimethylphenyl)-, monohydrochloride

HCID 3078632

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Basic information

CAS: 122001-66-5
Standard SMILES: COc1cc2nc(N3CCN(CC(N)=O)C(c4c(C)cccc4C)C3)nc(N)c2cc1OC.Cl
InChIKey: KXLXQOQERGVQPA-UHFFFAOYSA-N
Molecular formula: C24H31ClN6O3
Average molar mass: 487 g/mol
Monoisotopic mass: 486.2146166

Names & identifiers

Preferred name: 1-Piperazineacetamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(2,6-dimethylphenyl)-, monohydrochloride
IUPAC: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(2,6-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride

Names & synonyms

2-(4-(2,6-Dimethylacetanilide)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline hydrochloride1-Piperazineacetamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(2,6-dimethylphenyl)-, monohydrochloride122001-66-5RefChem:233330DTXSID90924044[2-(2,6-Dimethylphenyl)-4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]ethanimidic acid--hydrogen chloride (1/1)2-[2-(2,6-Dimethylphenyl)-4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]ethanimidic acid--hydrogen chloride (1/1)

Database identifiers

CAS: 122001-66-5
PubChem CID: 3078632
DTXSID: DTXSID90924044

Properties

Computed structural properties

Topological polar surface area: 120 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 658

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