200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 107189-96-8
107189-96-8 | 3(2H)-Isoquinolinone,4-acetyl-5,6,7,8-tetrahydro-1-methyl-7-(4-pyridinyl)-
CAS No: 107189-96-8 Catalog No: AG007AUI MDL No:
Product Description
Catalog Number:
AG007AUI
Chemical Name:
3(2H)-Isoquinolinone,4-acetyl-5,6,7,8-tetrahydro-1-methyl-7-(4-pyridinyl)-
CAS Number:
107189-96-8
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
4-acetyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
InChI:
InChI=1S/C17H18N2O2/c1-10-15-9-13(12-5-7-18-8-6-12)3-4-14(15)16(11(2)20)17(21)19-10/h5-8,13H,3-4,9H2,1-2H3,(H,19,21)
InChI Key:
NVTWQACIVZHUPA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(=O)[nH]c(c2c1CCC(C2)c1ccncc1)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Cardiovascular properties of MS-857, a new and potent cardiotonic agent, on normal and failing hearts. | Journal of cardiovascular pharmacology 19880101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.