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Home > Quinoline > 821004-11-9
821004-11-9 | 4(1H)-Quinolinone, 3-[(6-methoxy-2-naphthalenyl)carbonyl]-
CAS No: 821004-11-9 Catalog No: AG005AW4 MDL No:
Product Description
Catalog Number:
AG005AW4
Chemical Name:
4(1H)-Quinolinone, 3-[(6-methoxy-2-naphthalenyl)carbonyl]-
CAS Number:
821004-11-9
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
IUPAC Name:
3-(6-methoxynaphthalene-2-carbonyl)-1H-quinolin-4-one
InChI:
InChI=1S/C21H15NO3/c1-25-16-9-8-13-10-15(7-6-14(13)11-16)20(23)18-12-22-19-5-3-2-4-17(19)21(18)24/h2-12H,1H3,(H,22,24)
InChI Key:
MIFHBXBUKPBPEY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C(=O)c1c[nH]c2c(c1=O)cccc2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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