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Home > Quinoline > 142667-36-5
142667-36-5 | Quinoline, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-1-butynyl]-
CAS No: 142667-36-5 Catalog No: AG006XYG MDL No:
Product Description
Catalog Number:
AG006XYG
Chemical Name:
Quinoline, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-1-butynyl]-
CAS Number:
142667-36-5
Molecular Formula:
C24H22N2
Molecular Weight:
338.4449
IUPAC Name:
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]quinoline
InChI:
InChI=1S/C24H22N2/c1-2-9-21(10-3-1)22-13-16-26(17-14-22)15-7-6-8-20-18-23-11-4-5-12-24(23)25-19-20/h1-5,9-13,18-19H,7,14-17H2
InChI Key:
VNMWEXMNOPGWQX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CCN(CC1)CCC#Cc1cnc2c(c1)cccc2
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.454g/mol
Monoisotopic Mass:
338.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| The role of QSAR in dopamine interactions. | Bioorganic & medicinal chemistry letters 20050415 |
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