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22609-01-4 | 6-Chloro-3-ethoxycarbonyl-2-methyl-4-phenylquinoline
CAS No: 22609-01-4 Catalog No: AG00BITH MDL No:MFCD00104359
Product Description
Catalog Number:
AG00BITH
Chemical Name:
6-Chloro-3-ethoxycarbonyl-2-methyl-4-phenylquinoline
CAS Number:
22609-01-4
Molecular Formula:
C19H16ClNO2
Molecular Weight:
325.7888
MDL Number:
MFCD00104359
IUPAC Name:
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
InChI:
InChI=1S/C19H16ClNO2/c1-3-23-19(22)17-12(2)21-16-10-9-14(20)11-15(16)18(17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChI Key:
BHCZANKDQKMIBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl
NSC Number:
737758
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.087g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.792g/mol
Monoisotopic Mass:
325.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Quinolines and structurally related heterocycles as antimalarials. | European journal of medicinal chemistry 20100801 |
| Ethyl 6-chloro-2-methyl-4-phenyl-quinoline-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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