Basic information
- Standard SMILES
COc1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1- InChIKey
NBMWTGJWDHHFLJ-UHFFFAOYSA-N- Molecular formula
- C24H20ClN3O3
- Average molar mass
- 433.9 g/mol
Names & identifiers
- Preferred name
- 1-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-3-(4-methoxy-phenyl)-urea
- IUPAC
- 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
Names & synonyms
CHEMBL3640061SCHEMBL14576666NBMWTGJWDHHFLJ-UHFFFAOYSA-NBDBM100643US8501732, I-2031-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-3-(4-methoxy-phenyl)-urea
Database identifiers
- PubChem CID
- 71209110
- ChEMBL
CHEMBL3640061
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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