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248282-07-7 | 3-Quinolinecarboxamide, 5-chloro-N-ethyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-N-phenyl-, sodium salt (1:1)
CAS No: 248282-07-7 Catalog No: AG002PL6 MDL No:
Product Description
Catalog Number:
AG002PL6
Chemical Name:
3-Quinolinecarboxamide, 5-chloro-N-ethyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-N-phenyl-, sodium salt (1:1)
CAS Number:
248282-07-7
Molecular Formula:
C19H17ClN2NaO3
Molecular Weight:
379.7926
IUPAC Name:
sodium;5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
InChI:
InChI=1S/C19H17ClN2O3.Na/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24;/h4-11,23H,3H2,1-2H3;/q;+1/p-1
InChI Key:
JWHPPWBIIQMBQC-UHFFFAOYSA-M
SMILES:
CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1.[Na]
UNII:
4H914M0CSP
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.788g/mol
Monoisotopic Mass:
378.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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