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349454-54-2 | 1(2H)-Quinolinecarboxamide,3,4-dihydro-N-phenyl-(9CI)
CAS No: 349454-54-2 Catalog No: AG00CY69 MDL No:MFCD00729543
Product Description
Catalog Number:
AG00CY69
Chemical Name:
1(2H)-Quinolinecarboxamide,3,4-dihydro-N-phenyl-(9CI)
CAS Number:
349454-54-2
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD00729543
IUPAC Name:
N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
InChI:
InChI=1S/C16H16N2O/c19-16(17-14-9-2-1-3-10-14)18-12-6-8-13-7-4-5-11-15(13)18/h1-5,7,9-11H,6,8,12H2,(H,17,19)
InChI Key:
RXYDFGCDLFMFIQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cccc2)Nc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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