Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)NCc2c(-c3ncco3)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1- InChIKey
OAWBXOLXVAGTAG-UHFFFAOYSA-N- Molecular formula
- C27H19ClN4O5
- Average molar mass
- 514.9 g/mol
Names & identifiers
- Preferred name
- 5-[(7-Chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-carbamoyl]-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methylcarbamoyl]pyridine-2-carboxylate
Names & synonyms
CHEMBL3679425SCHEMBL14575456OAWBXOLXVAGTAG-UHFFFAOYSA-NBDBM100441US8501732, I-55-[(7-Chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-carbam-oyl]-pyridine-2-carboxylic acid methyl ester5-[(7-Chloro-2-oxazol-2-yl-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-carbamoyl]-pyridine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71208328
- ChEMBL
CHEMBL3679425
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 907
Related reactions
2 records
Compound notes
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