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393111-09-6 | Piperazine, 1-(3,5-dimethoxyphenyl)-4-(4-quinolinylcarbonyl)-
CAS No: 393111-09-6 Catalog No: AG0075BH MDL No:
Product Description
Catalog Number:
AG0075BH
Chemical Name:
Piperazine, 1-(3,5-dimethoxyphenyl)-4-(4-quinolinylcarbonyl)-
CAS Number:
393111-09-6
Molecular Formula:
C22H23N3O3
Molecular Weight:
377.4363
IUPAC Name:
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-quinolin-4-ylmethanone
InChI:
InChI=1S/C22H23N3O3/c1-27-17-13-16(14-18(15-17)28-2)24-9-11-25(12-10-24)22(26)20-7-8-23-21-6-4-3-5-19(20)21/h3-8,13-15H,9-12H2,1-2H3
InChI Key:
VCUCMABBUJPYTD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)N1CCN(CC1)C(=O)c1ccnc2c1cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.444g/mol
Monoisotopic Mass:
377.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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