[3-(3-Benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-3-(4-methyl-benzylamino)-propyl]-carbamic acid tert-butyl ester
Basic information
- Standard SMILES
Cc1ccc(CNC(CCNC(=O)OC(C)(C)C)c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1- InChIKey
SKJSLDQARNXMMB-UHFFFAOYSA-N- Molecular formula
- C31H35ClN4O3
- Average molar mass
- 547.1 g/mol
- Monoisotopic mass
- 546.2397687
Names & identifiers
- Preferred name
- [3-(3-Benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-3-(4-methyl-benzylamino)-propyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-3-[(4-methylphenyl)methylamino]propyl]carbamate
Names & synonyms
SCHEMBL4761207SKJSLDQARNXMMB-UHFFFAOYSA-N[3-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-3-(4-methyl-benzylamino)-propyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69178479
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 845
Related reactions
1 records
Compound notes
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