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130946-60-0 | Indeno[1,2-c]pyrazol-4(1H)-one, 3-methyl-1-(4-methyl-2-quinolinyl)-
CAS No: 130946-60-0 Catalog No: AG000V4U MDL No:
Product Description
Catalog Number:
AG000V4U
Chemical Name:
Indeno[1,2-c]pyrazol-4(1H)-one, 3-methyl-1-(4-methyl-2-quinolinyl)-
CAS Number:
130946-60-0
Molecular Formula:
C21H15N3O
Molecular Weight:
325.3633
IUPAC Name:
3-methyl-1-(4-methylquinolin-2-yl)indeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C21H15N3O/c1-12-11-18(22-17-10-6-5-7-14(12)17)24-20-15-8-3-4-9-16(15)21(25)19(20)13(2)23-24/h3-11H,1-2H3
InChI Key:
KQMOSNRFSFECJX-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1C(=O)c1c2cccc1)c1cc(C)c2c(n1)cccc2
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.371g/mol
Monoisotopic Mass:
325.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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