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115607-60-8 | Ethanone, 1-[8-methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-
CAS No: 115607-60-8 Catalog No: AG000G8K MDL No:
Product Description
Catalog Number:
AG000G8K
Chemical Name:
Ethanone, 1-[8-methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-
CAS Number:
115607-60-8
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]ethanone
InChI:
InChI=1S/C19H18N2O2/c1-12-7-4-5-9-16(12)21-18-14-8-6-10-17(23-3)19(14)20-11-15(18)13(2)22/h4-11H,1-3H3,(H,20,21)
InChI Key:
ZLGHFBJWCWKOHS-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ncc(c2Nc1ccccc1C)C(=O)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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