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80039-84-5 | N-(2-DIETHYLAMINOETHYL)-5,6,7,8-TETRAHYDROACRIDINE-9-CARBOXAMIDE
CAS No: 80039-84-5 Catalog No: AG0055G3 MDL No:
Product Description
Catalog Number:
AG0055G3
Chemical Name:
N-(2-DIETHYLAMINOETHYL)-5,6,7,8-TETRAHYDROACRIDINE-9-CARBOXAMIDE
CAS Number:
80039-84-5
Molecular Formula:
C20H27N3O
Molecular Weight:
325.4479
IUPAC Name:
N-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
InChI:
InChI=1S/C20H27N3O/c1-3-23(4-2)14-13-21-20(24)19-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5,7,9,11H,3-4,6,8,10,12-14H2,1-2H3,(H,21,24)
InChI Key:
OEDBPEVMRIBDOP-UHFFFAOYSA-N
SMILES:
CCN(CCNC(=O)c1c2CCCCc2nc2c1cccc2)CC
NSC Number:
107331
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.215g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.456g/mol
Monoisotopic Mass:
325.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). | Bioorganic & medicinal chemistry letters 20101215 |
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