200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 2116542-21-1
2116542-21-1 | 7-{4-[(7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2-yl)oxy]butoxy}-1,2-dihydroquinolin-2-one
CAS No: 2116542-21-1 Catalog No: AG01BXJE MDL No:MFCD31421114
Product Description
Catalog Number:
AG01BXJE
Chemical Name:
7-{4-[(7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2-yl)oxy]butoxy}-1,2-dihydroquinolin-2-one
CAS Number:
2116542-21-1
Molecular Formula:
C38H40N4O4S
Molecular Weight:
648.8136
MDL Number:
MFCD31421114
IUPAC Name:
7-[4-[7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinolin-2-yl]oxybutoxy]-1H-quinolin-2-one
InChI:
InChI=1S/C38H40N4O4S/c43-37-14-10-28-8-12-30(26-33(28)39-37)45-23-3-4-24-46-38-15-11-29-9-13-31(27-34(29)40-38)44-22-2-1-17-41-18-20-42(21-19-41)35-6-5-7-36-32(35)16-25-47-36/h5-16,25-27H,1-4,17-24H2,(H,39,43)
InChI Key:
KVKIZAUWWJSARG-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)cc(cc2)OCCCCOc1ccc2c(n1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.277g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
648.822g/mol
Monoisotopic Mass:
648.277g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.