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5467-79-8 | 6-METHOXY-2-QUINOLINECARBONITR
CAS No: 5467-79-8 Catalog No: AG00DEMM MDL No:MFCD00023938
Product Description
Catalog Number:
AG00DEMM
Chemical Name:
6-METHOXY-2-QUINOLINECARBONITR
CAS Number:
5467-79-8
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD00023938
IUPAC Name:
6-methoxyquinoline-2-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11/h2-6H,1H3
InChI Key:
MOBUAKGGKVGTIE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(n2)C#N
NSC Number:
25415
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation. | Bioorganic & medicinal chemistry 20140215 |
| In silico identification and biochemical characterization of novel inhibitors of NQO1. | Bioorganic & medicinal chemistry letters 20061215 |
| Structure-activity relationships in quinoline Reissert derivatives with HIV-1 reverse transcriptase inhibitory activity. | Drug design and discovery 19970401 |
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