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130946-66-6 | Indeno[1,2-c]pyrazol-4(1H)-one, 1-(6-chloro-4-methyl-2-quinolinyl)-3-methyl-
CAS No: 130946-66-6 Catalog No: AG000V4R MDL No:
Product Description
Catalog Number:
AG000V4R
Chemical Name:
Indeno[1,2-c]pyrazol-4(1H)-one, 1-(6-chloro-4-methyl-2-quinolinyl)-3-methyl-
CAS Number:
130946-66-6
Molecular Formula:
C21H14ClN3O
Molecular Weight:
359.8084
IUPAC Name:
1-(6-chloro-4-methylquinolin-2-yl)-3-methylindeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C21H14ClN3O/c1-11-9-18(23-17-8-7-13(22)10-16(11)17)25-20-14-5-3-4-6-15(14)21(26)19(20)12(2)24-25/h3-10H,1-2H3
InChI Key:
GASPGUMHRVZMLJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C)cc(n2)n1nc(c2c1c1ccccc1C2=O)C
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.813g/mol
Monoisotopic Mass:
359.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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