Urea, 1-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-3-phenyl-
Basic information
- CAS
39113-25-2- Standard SMILES
O=C(Nc1ccccc1)NN1Cc2ccccc2CC1=O- InChIKey
PCJPYCYVMVMGBU-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- Urea, 1-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-3-phenyl-
- IUPAC
- 1-(3-oxo-1,4-dihydroisoquinolin-2-yl)-3-phenylurea
Names & synonyms
BRN 149291639113-25-2Urea, 1-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-3-phenyl-1-(3-Oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-3-phenylurea2-(N'-Phenylureido)-1,4-dihydroisoquinolin-3(2H)-oneDTXSID10192364Urea, N-(3,4-dihydro-3-oxo-2(1H)-isoquinolinyl)-N'-phenyl-RefChem:387425DTXCID20114855N-(3-Oxo-3,4-dihydroisoquinolin-2(1H)-yl)-N'-phenylurea
Database identifiers
- CAS
39113-25-2- PubChem CID
- 217646
- DTXSID
DTXSID10192364- Nikkaji
- J59.515B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…