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Home > Quinoline > 923586-07-6
923586-07-6 | 1(2H)-Isoquinolinone, 6-methoxy-3-[4-(1-methylethyl)-2-thiazolyl]-
CAS No: 923586-07-6 Catalog No: AG00670D MDL No:
Product Description
Catalog Number:
AG00670D
Chemical Name:
1(2H)-Isoquinolinone, 6-methoxy-3-[4-(1-methylethyl)-2-thiazolyl]-
CAS Number:
923586-07-6
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
IUPAC Name:
6-methoxy-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H16N2O2S/c1-9(2)14-8-21-16(18-14)13-7-10-6-11(20-3)4-5-12(10)15(19)17-13/h4-9H,1-3H3,(H,17,19)
InChI Key:
BZGFYANHIXDBTJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]c2=O)c1scc(n1)C(C)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.376g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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