Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride

HCID 3078628

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 122001-64-3
Standard SMILES: COc1cc2nc(N3CCN(C(=O)COc4ccc(C(=O)c5cccs5)c(Cl)c4Cl)CC3)nc(N)c2cc1OC.Cl
InChIKey: ZEUMMQFIYNGZCA-UHFFFAOYSA-N
Molecular formula: C27H26Cl3N5O5S
Average molar mass: 638.9 g/mol
Monoisotopic mass: 637.072023

Names & identifiers

Preferred name: Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochloride
IUPAC: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]ethanone;hydrochloride

Names & synonyms

122001-64-3Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dichloro-4-(2-thienylcarbonyl)phenoxy)acetyl)-, monohydrochlorideRefChem:372354DTXSID309240432-[2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy]-1-[4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]ethan-1-one--hydrogen chloride (1/1)

Database identifiers

CAS: 122001-64-3
PubChem CID: 3078628
DTXSID: DTXSID30924043

Properties

Computed structural properties

Topological polar surface area: 148 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 41
Formal charge: 0
Complexity: 886

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…