Basic information
- CAS
99899-46-4- Standard SMILES
COc1cc2nc(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)nc(N)c2cc1OC.Cl- InChIKey
HCJVAJSDWNZAJR-UHFFFAOYSA-N- Molecular formula
- C25H34ClN5O3
- Average molar mass
- 488 g/mol
- Monoisotopic mass
- 487.2350177
Overview
structure given in first source
Names & identifiers
- Preferred name
- SM 911
- IUPAC
- 1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride
- English name
- SM 911
- Molecular formula
- C25H34ClN5O3
- Molecular weight
- 488.03
Names & synonyms
SM 91199899-46-4SM-911DTXSID60244286Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)-, monohydrochlorideRefChem:183385DTXCID601667772-(4-(1-Adamantane carbonyl)piperazinyl)-4-amino-6,7-dimethoxyquinazoline hcl1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone hydrochloride1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)piperazine monohydrochloride(Adamantan-1-yl)[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Show more names
1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone
Properties
Computed structural properties
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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