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69408-99-7 | 5-METHOXY-2-(2-(PYRROLIDIN-1-YL)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
CAS No: 69408-99-7 Catalog No: AG005ZRD MDL No:
Product Description
Catalog Number:
AG005ZRD
Chemical Name:
5-METHOXY-2-(2-(PYRROLIDIN-1-YL)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
CAS Number:
69408-99-7
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
5-methoxy-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C19H20N2O3/c1-24-14-11-13-5-4-6-15-17(13)16(12-14)19(23)21(18(15)22)10-9-20-7-2-3-8-20/h4-6,11-12H,2-3,7-10H2,1H3
InChI Key:
ZUQGGIPILNWNRC-UHFFFAOYSA-N
SMILES:
COc1cc2cccc3c2c(c1)c(=O)n(c3=O)CCN1CCCC1
UNII:
AG542XU5YV
NSC Number:
308846
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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