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296776-08-4 | 5,8-Isoquinolinedione, 6-chloro-7-[[4-(trifluoromethoxy)phenyl]amino]-
CAS No: 296776-08-4 Catalog No: AG002Z2P MDL No:
Product Description
Catalog Number:
AG002Z2P
Chemical Name:
5,8-Isoquinolinedione, 6-chloro-7-[[4-(trifluoromethoxy)phenyl]amino]-
CAS Number:
296776-08-4
Molecular Formula:
C16H8ClF3N2O3
Molecular Weight:
368.6945
IUPAC Name:
6-chloro-7-[4-(trifluoromethoxy)anilino]isoquinoline-5,8-dione
InChI:
InChI=1S/C16H8ClF3N2O3/c17-12-13(15(24)11-7-21-6-5-10(11)14(12)23)22-8-1-3-9(4-2-8)25-16(18,19)20/h1-7,22H
InChI Key:
WHGKVPAIVGFKQP-UHFFFAOYSA-N
SMILES:
ClC1=C(Nc2ccc(cc2)OC(F)(F)F)C(=O)c2c(C1=O)ccnc2
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.018g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.696g/mol
Monoisotopic Mass:
368.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. | Bioorganic & medicinal chemistry 20070101 |
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