Basic information
- Standard SMILES
CN(C)c1nc(NCC2CCC(CNC(=O)OC(C)(C)C)CC2)nc2ccccc12- InChIKey
LKRXQPMLQBWYCK-UHFFFAOYSA-N- Molecular formula
- C23H35N5O2
- Average molar mass
- 413.6 g/mol
- Monoisotopic mass
- 413.27907538
Names & identifiers
- Preferred name
- trans-{4-[(4-Dimethylamino-quinazolin-2-ylamino)-methyl]cyclohexylmethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
Names & synonyms
SCHEMBL3936927SCHEMBL3936931SCHEMBL3940127LKRXQPMLQBWYCK-QAQDUYKDSA-Ntrans-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-carbamic acid tert-butyl estertrans-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]cyclohexylmethyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68846239
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Related reactions
5 records
Compound notes
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