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164261-17-0 | 3-Quinolinecarboxamide, 1-(2-chloro-4-hydroxyphenyl)-1,4-dihydro-4-oxo-7-(4-pyridinyl)-
CAS No: 164261-17-0 Catalog No: AG001UQW MDL No:
Product Description
Catalog Number:
AG001UQW
Chemical Name:
3-Quinolinecarboxamide, 1-(2-chloro-4-hydroxyphenyl)-1,4-dihydro-4-oxo-7-(4-pyridinyl)-
CAS Number:
164261-17-0
Molecular Formula:
C21H14ClN3O3
Molecular Weight:
391.8072
IUPAC Name:
1-(2-chloro-4-hydroxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
InChI:
InChI=1S/C21H14ClN3O3/c22-17-10-14(26)2-4-18(17)25-11-16(21(23)28)20(27)15-3-1-13(9-19(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
InChI Key:
CLRFYTGANQZOBS-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)n1cc(C(=O)N)c(=O)c2c1cc(cc2)c1ccncc1
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.072g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.811g/mol
Monoisotopic Mass:
391.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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