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111784-25-9 | 1H-Pyrazol-5-ol, 1-(6-methoxy-4-methyl-2-quinolinyl)-3-methyl-
CAS No: 111784-25-9 Catalog No: AG007S4T MDL No:
Product Description
Catalog Number:
AG007S4T
Chemical Name:
1H-Pyrazol-5-ol, 1-(6-methoxy-4-methyl-2-quinolinyl)-3-methyl-
CAS Number:
111784-25-9
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
2-(6-methoxy-4-methylquinolin-2-yl)-5-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C15H15N3O2/c1-9-6-14(18-15(19)7-10(2)17-18)16-13-5-4-11(20-3)8-12(9)13/h4-8,17H,1-3H3
InChI Key:
ANKBMRAVKFWRSS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)cc(n2)n1nc(cc1O)C
NSC Number:
378285
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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