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29620-62-0 | 4-Quinolinecarboxylic acid, hydrazide
CAS No: 29620-62-0 Catalog No: AG002YWJ MDL No:MFCD00784841
Product Description
Catalog Number:
AG002YWJ
Chemical Name:
4-Quinolinecarboxylic acid, hydrazide
CAS Number:
29620-62-0
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD00784841
IUPAC Name:
quinoline-4-carbohydrazide
InChI:
InChI=1S/C10H9N3O/c11-13-10(14)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,11H2,(H,13,14)
InChI Key:
CPWKEFDYIVVJHG-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccnc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Ring-substituted quinolines. Part 2: Synthesis and antimycobacterial activities of ring-substituted quinolinecarbohydrazide and ring-substituted quinolinecarboxamide analogues. | Bioorganic & medicinal chemistry 20041215 |
| Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives. | Journal of medicinal chemistry 20040715 |
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