200,000+ products from a single source!
sales@angenechem.com
89257-76-1 | 3-Isoquinolinecarboxamide, N,N-diethyl-1-(4-methylphenyl)-
CAS No: 89257-76-1 Catalog No: AG0041Z9 MDL No:
Product Description
Catalog Number:
AG0041Z9
Chemical Name:
3-Isoquinolinecarboxamide, N,N-diethyl-1-(4-methylphenyl)-
CAS Number:
89257-76-1
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
N,N-diethyl-1-(4-methylphenyl)isoquinoline-3-carboxamide
InChI:
InChI=1S/C21H22N2O/c1-4-23(5-2)21(24)19-14-17-8-6-7-9-18(17)20(22-19)16-12-10-15(3)11-13-16/h6-14H,4-5H2,1-3H3
InChI Key:
WPIXGZVJJBQKDB-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc2ccccc2c(n1)c1ccc(cc1)C)CC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.