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882748-20-1 | 5,8-dimethoxy-2-phenylquinoline-3-carbonitrile
CAS No: 882748-20-1 Catalog No: AG00IRKQ MDL No:MFCD08064780
Product Description
Catalog Number:
AG00IRKQ
Chemical Name:
5,8-dimethoxy-2-phenylquinoline-3-carbonitrile
CAS Number:
882748-20-1
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
MDL Number:
MFCD08064780
IUPAC Name:
5,8-dimethoxy-2-phenylquinoline-3-carbonitrile
InChI:
InChI=1S/C18H14N2O2/c1-21-15-8-9-16(22-2)18-14(15)10-13(11-19)17(20-18)12-6-4-3-5-7-12/h3-10H,1-2H3
InChI Key:
AQMMQSSPMNYPPC-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(OC)ccc(c2nc1c1ccccc1)OC
Properties
Complexity:
413
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 5,8-Dimeth-oxy-2-phenyl-1,4-dihydro-quinoline-3-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20100901 |
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