Basic information
- Standard SMILES
Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3CNCC3CC3)ccc2n1- InChIKey
FNVKKRHTDWUQPJ-UHFFFAOYSA-N- Molecular formula
- C28H27N5O
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.2215605
Names & identifiers
- Preferred name
- (2-Amino-6-{2-[(cyclopropylmethylamino)methyl]phenyl}quinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
- IUPAC
- [2-amino-6-[2-[(cyclopropylmethylamino)methyl]phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Names & synonyms
SCHEMBL15091273FNVKKRHTDWUQPJ-UHFFFAOYSA-N(2-Amino-6-{2-[(cyclopropylmethylamino)methyl]phenyl}quinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
Database identifiers
- PubChem CID
- 89675009
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
1 records
Compound notes
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