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428448-83-3 | N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CAS No: 428448-83-3 Catalog No: AG01BIWZ MDL No:MFCD02639984
Product Description
Catalog Number:
AG01BIWZ
Chemical Name:
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CAS Number:
428448-83-3
Molecular Formula:
C23H18ClN3O3
Molecular Weight:
419.8603
MDL Number:
MFCD02639984
IUPAC Name:
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pyridine-3-carboxamide
InChI:
InChI=1S/C23H18ClN3O3/c1-30-16-8-6-14(7-9-16)20(27-23(29)15-4-2-10-25-13-15)18-12-19(24)17-5-3-11-26-21(17)22(18)28/h2-13,20,28H,1H3,(H,27,29)
InChI Key:
MOVXTSAXGOKBPZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1cc(Cl)c2c(c1O)nccc2)NC(=O)c1cccnc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.104g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.865g/mol
Monoisotopic Mass:
419.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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