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130946-65-5 | Indeno[1,2-c]pyrazol-4(1H)-one, 1-(6-methoxy-4-methyl-2-quinolinyl)-3-methyl-
CAS No: 130946-65-5 Catalog No: AG000V4S MDL No:
Product Description
Catalog Number:
AG000V4S
Chemical Name:
Indeno[1,2-c]pyrazol-4(1H)-one, 1-(6-methoxy-4-methyl-2-quinolinyl)-3-methyl-
CAS Number:
130946-65-5
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
1-(6-methoxy-4-methylquinolin-2-yl)-3-methylindeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C22H17N3O2/c1-12-10-19(23-18-9-8-14(27-3)11-17(12)18)25-21-15-6-4-5-7-16(15)22(26)20(21)13(2)24-25/h4-11H,1-3H3
InChI Key:
AQPKXVURWUVRLY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)cc(n2)n1nc(c2c1c1ccccc1C2=O)C
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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