Bms-223131
Basic information
- CAS
275375-69-4- Standard SMILES
O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO- InChIKey
QESHSZWKJULSAR-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3NO3
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 383.0536055
Names & identifiers
- Preferred name
- Bms-223131
- IUPAC
- 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
Names & synonyms
BMS-223131275375-69-4889F719S7K2(1H)-Quinolinone, 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-RefChem:120711BMS223131BMS 2231314-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)quinolin-2(1H)-oneCHEMBL222460UNII-889F719S7K4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-oneSCHEMBL3269828
Show more names
SCHEMBL30627537QESHSZWKJULSAR-UHFFFAOYSA-NBDBM50241125(+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)quinolin-2(1H)-one(-)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)quinolin-2(1H)-one4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-6-trifluoromethyl-1H-quinolin-2-one
Database identifiers
- CAS
275375-69-4- PubChem CID
- 9951995
- ChEMBL
CHEMBL222460- UNII
- 889F719S7K
- Nikkaji
- J1.896.385J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 581
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Related reactions
1 records
Compound notes
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