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115607-61-9 | 1-Butanone, 1-[8-methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-
CAS No: 115607-61-9 Catalog No: AG000G8J MDL No:MFCD00865646
Product Description
Catalog Number:
AG000G8J
Chemical Name:
1-Butanone, 1-[8-methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-
CAS Number:
115607-61-9
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
MDL Number:
MFCD00865646
IUPAC Name:
1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
InChI:
InChI=1S/C21H22N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)
InChI Key:
MAVJDLHBPIXVJL-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cnc2c(c1Nc1ccccc1C)cccc2OC
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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