Basic information
- CAS
5423-78-9- Standard SMILES
CCN(CC)CC(O)CNc1ccnc2cc(Cl)c(Cl)cc12- InChIKey
LJUAGDICZIDMII-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N3O
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 341.1061677
Names & identifiers
- Preferred name
- 1-[(6,7-Dichloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol
- IUPAC
- 1-[(6,7-dichloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol
Names & synonyms
5423-78-91-[(6,7-dichloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-olNSC13253DTXSID60279578NSC-13253
Database identifiers
- CAS
5423-78-9- PubChem CID
- 224613
- DTXSID
DTXSID60279578
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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