200,000+ products from a single source!
sales@angenechem.com
16078-42-5 | Ethanone, 1-(3,4-dihydro-2-methyl-1(2H)-quinolinyl)-
CAS No: 16078-42-5 Catalog No: AG001VCE MDL No:
Product Description
Catalog Number:
AG001VCE
Chemical Name:
Ethanone, 1-(3,4-dihydro-2-methyl-1(2H)-quinolinyl)-
CAS Number:
16078-42-5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3
InChI Key:
IJTWYLGCGAIGAQ-UHFFFAOYSA-N
SMILES:
CC1CCc2c(N1C(=O)C)cccc2
NSC Number:
71584
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Fragment-based discovery of bromodomain inhibitors part 1: inhibitor binding modes and implications for lead discovery. | Journal of medicinal chemistry 20120126 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.