Basic information
- Standard SMILES
O=c1c2cc(Cc3ccc(Cl)cc3)c3ccccc3c2ncn1[C@H]1CCOC[C@@H]1O- InChIKey
VLLWHKITCMALAW-VXKWHMMOSA-N- Molecular formula
- C24H21ClN2O3
- Average molar mass
- 420.9 g/mol
Names & identifiers
- Preferred name
- 6-(4-Chlorobenzyl)-3-[(3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl]benzo[h]quinazolin-4(3H)-one
- IUPAC
- 6-[(4-chlorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]benzo[h]quinazolin-4-one
Names & synonyms
SCHEMBL9931116VLLWHKITCMALAW-VXKWHMMOSA-N6-(4-Chlorobenzyl)-3-[(3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl]benzo[h]quinazolin-4(3H)-one
Database identifiers
- PubChem CID
- 67970490
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 650
Related reactions
4 records
Compound notes
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