Basic information
- Standard SMILES
CN(C)C(=O)c1c(CNC(=O)c2ccc(N3CCOCC3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1- InChIKey
JNZBVEKAWMOQOA-UHFFFAOYSA-N- Molecular formula
- C30H29ClN4O4
- Average molar mass
- 545 g/mol
- Monoisotopic mass
- 544.1877331
Names & identifiers
- Preferred name
- 7-Chloro-3-[(4-morpholin-4-yl-benzoylamino)-methyl]-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid dimethylamide
- IUPAC
- 7-chloro-N,N-dimethyl-3-[[(4-morpholin-4-ylbenzoyl)amino]methyl]-4-oxo-1-phenylquinoline-2-carboxamide
Names & synonyms
CHEMBL3679437SCHEMBL14576885JNZBVEKAWMOQOA-UHFFFAOYSA-NBDBM100453US8501732, I-177-Chloro-3-[(4-morpholin-4-yl-benzoylamino)-methyl]-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid dimethylamide
Database identifiers
- PubChem CID
- 71209230
- ChEMBL
CHEMBL3679437
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 935
Related reactions
2 records
Compound notes
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