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94788-64-4 | 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline
CAS No: 94788-64-4 Catalog No: AG005V8Z MDL No:
Product Description
Catalog Number:
AG005V8Z
Chemical Name:
2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline
CAS Number:
94788-64-4
Molecular Formula:
C21H23N3
Molecular Weight:
317.4274
IUPAC Name:
2-(4-ethylpiperazin-1-yl)-4-phenylquinoline
InChI:
InChI=1S/C21H23N3/c1-2-23-12-14-24(15-13-23)21-16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22-21/h3-11,16H,2,12-15H2,1H3
InChI Key:
PHOZLMDTTWWBAH-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1nc2ccccc2c(c1)c1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.436g/mol
Monoisotopic Mass:
317.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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