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72320-58-2 | Quinoline,4-phenyl-2-(1-piperazinyl)-
CAS No: 72320-58-2 Catalog No: AG005U9O MDL No:
Product Description
Catalog Number:
AG005U9O
Chemical Name:
Quinoline,4-phenyl-2-(1-piperazinyl)-
CAS Number:
72320-58-2
Molecular Formula:
C19H19N3
Molecular Weight:
289.3743
IUPAC Name:
4-phenyl-2-piperazin-1-ylquinoline
InChI:
InChI=1S/C19H19N3/c1-2-6-15(7-3-1)17-14-19(22-12-10-20-11-13-22)21-18-9-5-4-8-16(17)18/h1-9,14,20H,10-13H2
InChI Key:
LYLBRVQNLFMNLN-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nc2ccccc2c(c1)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.382g/mol
Monoisotopic Mass:
289.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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