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923586-09-8 | 1(2H)-Isoquinolinone, 3-(4-cyclopropyl-2-thiazolyl)-6-methoxy-
CAS No: 923586-09-8 Catalog No: AG006JS9 MDL No:
Product Description
Catalog Number:
AG006JS9
Chemical Name:
1(2H)-Isoquinolinone, 3-(4-cyclopropyl-2-thiazolyl)-6-methoxy-
CAS Number:
923586-09-8
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
3-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H14N2O2S/c1-20-11-4-5-12-10(6-11)7-13(17-15(12)19)16-18-14(8-21-16)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,19)
InChI Key:
HONXCODLKXKEQC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]c2=O)c1scc(n1)C1CC1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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