Basic information
- CAS
41957-82-8- Standard SMILES
Clc1cc2c(c3ncccc13)OCN(Cc1ccccc1)C2- InChIKey
KESMFLPMOPKQCF-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0872908
Names & identifiers
- Preferred name
- 3-Benzyl-6-chloro-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline
- IUPAC
- 3-benzyl-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Names & synonyms
41957-82-83-Benzyl-6-chloro-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline3-Benzyl-6-chloro-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinolineNSC 297362DTXSID20194778RefChem:277042DTXCID601172693-benzyl-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazineNSC297362NSC-297362F1031-01633-BENZYL-6-CHLORO-2H,4H-[1,3]OXAZINO[5,6-H]QUINOLINE
Show more names
3-Benzyl-6-chloro-3,4-dihydro-2H-pyrido[3,2-H]-1,3-benzoxazine8KUB799ALHOprea1_683687Oprea1_717808CHEMBL6173376KESMFLPMOPKQCF-UHFFFAOYSA-NSMSSF-06132123-BENZYL-6-CHLORO-2H,3H,4H-[1,3]OXAZINO[5,6-H]QUINOLINE
Database identifiers
- CAS
41957-82-8- PubChem CID
- 326322
- DTXSID
DTXSID20194778- ChEMBL
CHEMBL6173376- UNII
- 8KUB799ALH
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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