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2349-40-8 | 2,5(1H,3H)-Quinolinedione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-
CAS No: 2349-40-8 Catalog No: AG002NEA MDL No:
Product Description
Catalog Number:
AG002NEA
Chemical Name:
2,5(1H,3H)-Quinolinedione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-
CAS Number:
2349-40-8
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
InChI:
InChI=1S/C19H23NO4/c1-23-17-8-6-13(12-18(17)24-2)10-11-20-15-4-3-5-16(21)14(15)7-9-19(20)22/h6,8,12H,3-5,7,9-11H2,1-2H3
InChI Key:
PYOVYEYGDRSQGH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)CCN1C(=O)CCC2=C1CCCC2=O
UNII:
MCD1ZGZ3HA
NSC Number:
351289
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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