Home Carboxys Methyl 2-phenylquinoline-4-carboxylate

Methyl 2-phenylquinoline-4-carboxylate

CAS No.:
4546-48-9
Catalog Number:
AG006ZNA
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
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Product Description
Catalog Number:
AG006ZNA
Chemical Name:
Methyl 2-phenylquinoline-4-carboxylate
CAS Number:
4546-48-9
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
MDL Number:
MFCD00006749
IUPAC Name:
methyl 2-phenylquinoline-4-carboxylate
InChI:
InChI=1S/C17H13NO2/c1-20-17(19)14-11-16(12-7-3-2-4-8-12)18-15-10-6-5-9-13(14)15/h2-11H,1H3
InChI Key:
FDNMMBMNYRTPLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties