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29197-45-3 | 4-Quinolinecarboxamide, 2-phenyl-
CAS No: 29197-45-3 Catalog No: AG002XNI MDL No:
Product Description
Catalog Number:
AG002XNI
Chemical Name:
4-Quinolinecarboxamide, 2-phenyl-
CAS Number:
29197-45-3
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
2-phenylquinoline-4-carboxamide
InChI:
InChI=1S/C16H12N2O/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,17,19)
InChI Key:
AOLMGSAMTRTYEX-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Synthesis of 2-(4-biphenylyl)quinoline-4-carboxylate and carboxamide analogs. New human neurokinin-3 (hNK-3) receptor antagonists. | Archiv der Pharmazie 20030601 |
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