Basic information
- CAS
5624-51-1- Standard SMILES
COc1ccc2c(C)cc(N3CCCCCC3)nc2c1- InChIKey
IEOBQTYHOHTUKL-UHFFFAOYSA-N- Molecular formula
- C17H22N2O
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.17321333
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)-7-methoxy-4-methylquinoline
- IUPAC
- 2-(azepan-1-yl)-7-methoxy-4-methylquinoline
Names & synonyms
2-(azepan-1-yl)-7-methoxy-4-methylquinoline301330-94-95624-51-1WAY-600704MLS001018567SMR0003547792-azepan-1-yl-4-methyl-7-(methyloxy)quinolineETNK-IN-12-(azepan-1-yl)-7-methoxy-4-methyl-quinolineOprea1_693112orb2945940SCHEMBL6512019
Show more names
CHEMBL1626143BDBM72595DTXSID30971673cid_16195960AS-86643DB-346948HY-169547G72134
Database identifiers
- CAS
5624-51-1- PubChem CID
- 692276
- DTXSID
DTXSID30971673- ChEMBL
CHEMBL1626143
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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