2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
Basic information
- CAS
846599-68-6- Standard SMILES
CC1(C)CC(=O)c2cnc(N3CCc4ccccc43)nc2C1- InChIKey
JNTZDRFKRAFAIF-UHFFFAOYSA-N- Molecular formula
- C18H19N3O
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.15281224
Names & identifiers
- Preferred name
- 2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
- IUPAC
- 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
Names & synonyms
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one846599-68-6MLS000333536CHEMBL1612636DTXSID001321392HMS2808I222-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-oneSTK211288AKOS002277584SMR000437666ST501620662-indolinyl-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
Show more names
2-(indolin-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one2-(2,3-Dihydro-indol-1-yl)-7,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
Database identifiers
- CAS
846599-68-6- PubChem CID
- 943239
- DTXSID
DTXSID001321392- ChEMBL
CHEMBL1612636
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…