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312321-04-3 | 2-(4-Methoxy-phenyl)-quinoline-4-carboxylic acid (4-bromo-phenyl)-amide
CAS No: 312321-04-3 Catalog No: AG01EUUU MDL No:
Product Description
Catalog Number:
AG01EUUU
Chemical Name:
2-(4-Methoxy-phenyl)-quinoline-4-carboxylic acid (4-bromo-phenyl)-amide
CAS Number:
312321-04-3
Molecular Formula:
C23H17BrN2O2
Molecular Weight:
433.2973
IUPAC Name:
N-(4-bromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
InChI:
InChI=1S/C23H17BrN2O2/c1-28-18-12-6-15(7-13-18)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-17-10-8-16(24)9-11-17/h2-14H,1H3,(H,25,27)
InChI Key:
QCZMEFVTKXMHLB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1ccc(cc1)Br
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.047g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.305g/mol
Monoisotopic Mass:
432.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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