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Home > Quinoline > 1178442-52-8
1178442-52-8 | 3-ethyl-2-methyl-6-phenoxy-1,4-dihydroquinolin-4-one
CAS No: 1178442-52-8 Catalog No: AG01A21J MDL No:MFCD18466770
Product Description
Catalog Number:
AG01A21J
Chemical Name:
3-ethyl-2-methyl-6-phenoxy-1,4-dihydroquinolin-4-one
CAS Number:
1178442-52-8
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD18466770
IUPAC Name:
3-ethyl-2-methyl-6-phenoxy-1H-quinolin-4-one
InChI:
InChI=1S/C18H17NO2/c1-3-15-12(2)19-17-10-9-14(11-16(17)18(15)20)21-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChI Key:
VPQRWPQXAKWUGQ-UHFFFAOYSA-N
SMILES:
CCc1c(C)[nH]c2c(c1=O)cc(cc2)Oc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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