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333750-13-3 | N-[(4-ethoxyphenyl)(8-hydroxyquinolin-7-yl)methyl]pyridine-3-carboxamide
CAS No: 333750-13-3 Catalog No: AG01BIWX MDL No:MFCD02578893
Product Description
Catalog Number:
AG01BIWX
Chemical Name:
N-[(4-ethoxyphenyl)(8-hydroxyquinolin-7-yl)methyl]pyridine-3-carboxamide
CAS Number:
333750-13-3
Molecular Formula:
C24H21N3O3
Molecular Weight:
399.4418
MDL Number:
MFCD02578893
IUPAC Name:
N-[(4-ethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pyridine-3-carboxamide
InChI:
InChI=1S/C24H21N3O3/c1-2-30-19-10-7-17(8-11-19)21(27-24(29)18-6-3-13-25-15-18)20-12-9-16-5-4-14-26-22(16)23(20)28/h3-15,21,28H,2H2,1H3,(H,27,29)
InChI Key:
IHGKRRGTIZSSFX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(c1ccc2c(c1O)nccc2)NC(=O)c1cccnc1
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.45g/mol
Monoisotopic Mass:
399.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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