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Basic information
- Standard SMILES
Cl.NCc1cccc(C(=O)N[C@H]2C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)c1- InChIKey
XQVBCMVMASBDCK-LDXVYITESA-N- Molecular formula
- C18H18Cl3N3O3
- Average molar mass
- 430.7 g/mol
Names & identifiers
- Preferred name
- Trans-2-carboxy-5,7-dichloro-4-(3-aminomethylphenyl)carbonylamino-1,2,3,4-tetrahydroquinoline hydrochloride
- IUPAC
- (2R,4S)-4-[[3-(aminomethyl)benzoyl]amino]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
Names & synonyms
SCHEMBL8785723XQVBCMVMASBDCK-LDXVYITESA-Ntrans-2-carboxy-5,7-dichloro-4(3-aminomethylphenyl)carbonylamino-1,2,3,4-tetrahydroquinoline hydrochlorideTrans-2-carboxy-5,7-dichloro-4-(3-aminomethylphenyl)carbonylamino-1,2,3,4-tetrahydroquinoline hydrochloride
Database identifiers
- PubChem CID
- 67690807
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Related reactions
4 records
Compound notes
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