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26455-95-8 | Benzo[f]quinoline-3-carbonitrile, 4-benzoyl-3,4-dihydro-
CAS No: 26455-95-8 Catalog No: AG002TAX MDL No:
Product Description
Catalog Number:
AG002TAX
Chemical Name:
Benzo[f]quinoline-3-carbonitrile, 4-benzoyl-3,4-dihydro-
CAS Number:
26455-95-8
Molecular Formula:
C21H14N2O
Molecular Weight:
310.3487
IUPAC Name:
4-benzoyl-3H-benzo[f]quinoline-3-carbonitrile
InChI:
InChI=1S/C21H14N2O/c22-14-17-11-12-19-18-9-5-4-6-15(18)10-13-20(19)23(17)21(24)16-7-2-1-3-8-16/h1-13,17H
InChI Key:
YLUZVASKHQAJAO-UHFFFAOYSA-N
SMILES:
N#CC1C=Cc2c(N1C(=O)c1ccccc1)ccc1c2cccc1
NSC Number:
96541
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.356g/mol
Monoisotopic Mass:
310.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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 |
| Synthesis and evaluation of new Reissert analogs as HIV-1 RT inhibitors. 2. Benzo[f]quinoline and pyridine derivatives. | Drug design and discovery 19970401 |
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