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70391-31-0 | 1-(4-methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile
CAS No: 70391-31-0 Catalog No: AG005JJ5 MDL No:
Product Description
Catalog Number:
AG005JJ5
Chemical Name:
1-(4-methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile
CAS Number:
70391-31-0
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
1-(4-methoxybenzoyl)-2H-quinoline-2-carbonitrile
InChI:
InChI=1S/C18H14N2O2/c1-22-16-10-7-14(8-11-16)18(21)20-15(12-19)9-6-13-4-2-3-5-17(13)20/h2-11,15H,1H3
InChI Key:
WUJAMDNMCMEVOJ-UHFFFAOYSA-N
SMILES:
N#CC1C=Cc2c(N1C(=O)c1ccc(cc1)OC)cccc2
NSC Number:
131499
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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