Basic information
- Standard SMILES
COc1cc(NC(=O)Nc2cnc3c(C)cc(C)cc3c2-c2ccccc2Cl)cc(OC)c1OC- InChIKey
LMWHHSIIUWOQCQ-UHFFFAOYSA-N- Molecular formula
- C27H26ClN3O4
- Average molar mass
- 492 g/mol
- Monoisotopic mass
- 491.161184
Names & identifiers
- Preferred name
- 4-(2-Chlorophenyl)-6,8-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)ureido]-quinoline
- IUPAC
- 1-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(3,4,5-trimethoxyphenyl)urea
Names & synonyms
SCHEMBL9159342LMWHHSIIUWOQCQ-UHFFFAOYSA-N4-(2-chlorophenyl)-6,8-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)ureido]-quinoline
Database identifiers
- PubChem CID
- 15035154
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 685
Related reactions
2 records
Compound notes
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