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130946-68-8 | Indeno[1,2-c]pyrazole, 1,4-dihydro-1-(6-methoxy-4-methyl-2-quinolinyl)-3-methyl-
CAS No: 130946-68-8 Catalog No: AG000V5P MDL No:
Product Description
Catalog Number:
AG000V5P
Chemical Name:
Indeno[1,2-c]pyrazole, 1,4-dihydro-1-(6-methoxy-4-methyl-2-quinolinyl)-3-methyl-
CAS Number:
130946-68-8
Molecular Formula:
C22H19N3O
Molecular Weight:
341.4058
IUPAC Name:
1-(6-methoxy-4-methylquinolin-2-yl)-3-methyl-4H-indeno[1,2-c]pyrazole
InChI:
InChI=1S/C22H19N3O/c1-13-10-21(23-20-9-8-16(26-3)12-18(13)20)25-22-17-7-5-4-6-15(17)11-19(22)14(2)24-25/h4-10,12H,11H2,1-3H3
InChI Key:
KBWOTHNYUHKJBD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)cc(n2)n1nc(c2c1c1ccccc1C2)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.414g/mol
Monoisotopic Mass:
341.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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