N-[5-Chloro-2-(1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
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Basic information
- Standard SMILES
NCCNc1cc(N2CCCc3ccccc3C2)nc2cccc(Cl)c12- InChIKey
WEFBASFWUAXVSU-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4
- Average molar mass
- 366.9 g/mol
- Monoisotopic mass
- 366.1611244
Names & identifiers
- Preferred name
- N-[5-Chloro-2-(1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
- IUPAC
- N'-[5-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
Names & synonyms
CHEMBL4170528SCHEMBL14692735WEFBASFWUAXVSU-UHFFFAOYSA-NBDBM50450563N-[5-Chloro-2-(1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
Database identifiers
- PubChem CID
- 71255752
- ChEMBL
CHEMBL4170528
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
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Related reactions
1 records
Compound notes
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