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55706-61-1 | quinoline-8-carboxamide
CAS No: 55706-61-1 Catalog No: AG00DBEH MDL No:MFCD00508832
Product Description
Catalog Number:
AG00DBEH
Chemical Name:
quinoline-8-carboxamide
CAS Number:
55706-61-1
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00508832
IUPAC Name:
quinoline-8-carboxamide
InChI:
InChI=1S/C10H8N2O/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h1-6H,(H2,11,13)
InChI Key:
HPQRQAOVNXWEEQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1nccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Molecular modeling study of intercalation complexes of tricyclic carboxamides with d(CCGGCGCCGG)₂ and d(CGCGAATTCGCG)₂. | Journal of molecular modeling 20110801 |
| Design, synthesis, and evaluation in vitro of quinoline-8-carboxamides, a new class of poly(adenosine-diphosphate-ribose)polymerase-1 (PARP-1) inhibitor. | Journal of medicinal chemistry 20090212 |
| Lead identification of 2-iminobenzimidazole antagonists of the chemokine receptor CXCR3. | Bioorganic & medicinal chemistry letters 20080401 |
| Azepanone-based inhibitors of human cathepsin L. | Journal of medicinal chemistry 20051103 |
| Aromatic quinolinecarboxamides as selective, orally active antibody production inhibitors for prevention of acute xenograft rejection. | Journal of medicinal chemistry 20010607 |
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