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71509-00-7 | Quinoline,2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-4-methyl-
CAS No: 71509-00-7 Catalog No: AG005T42 MDL No:
Product Description
Catalog Number:
AG005T42
Chemical Name:
Quinoline,2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-4-methyl-
CAS Number:
71509-00-7
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)-6-methoxy-4-methylquinoline
InChI:
InChI=1S/C16H17N3O/c1-10-7-16(19-12(3)8-11(2)18-19)17-15-6-5-13(20-4)9-14(10)15/h5-9H,1-4H3
InChI Key:
INKWUKDNGQHKRV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)cc(n2)n1nc(cc1C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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