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88067-71-4 | 4-Quinolinecarboxamide, N-[2-ethyl-6-(1-methylethyl)phenyl]-2-phenyl-
CAS No: 88067-71-4 Catalog No: AG004KR5 MDL No:
Product Description
Catalog Number:
AG004KR5
Chemical Name:
4-Quinolinecarboxamide, N-[2-ethyl-6-(1-methylethyl)phenyl]-2-phenyl-
CAS Number:
88067-71-4
Molecular Formula:
C27H26N2O
Molecular Weight:
394.5081
IUPAC Name:
N-(2-ethyl-6-propan-2-ylphenyl)-2-phenylquinoline-4-carboxamide
InChI:
InChI=1S/C27H26N2O/c1-4-19-13-10-15-21(18(2)3)26(19)29-27(30)23-17-25(20-11-6-5-7-12-20)28-24-16-9-8-14-22(23)24/h5-18H,4H2,1-3H3,(H,29,30)
InChI Key:
FZBAXQHXPIUPSB-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)c1cc(nc2c1cccc2)c1ccccc1)C(C)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.518g/mol
Monoisotopic Mass:
394.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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