Home Carboxys 1-Pentyl-1H-Indole-3-carboxylicAcid8-QuinolinylEster

1-Pentyl-1H-Indole-3-carboxylicAcid8-QuinolinylEster

CAS No.:
1400742-17-7
Catalog Number:
AG01E1YL
Molecular Formula:
C23H22N2O2
Molecular Weight:
358.4330
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Product Description
Catalog Number:
AG01E1YL
Chemical Name:
1-Pentyl-1H-Indole-3-carboxylicAcid8-QuinolinylEster
CAS Number:
1400742-17-7
Molecular Formula:
C23H22N2O2
Molecular Weight:
358.4330
MDL Number:
MFCD24386264
IUPAC Name:
quinolin-8-yl 1-pentylindole-3-carboxylate
InChI:
InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
InChI Key:
ZAVGICCEAOUWFM-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2
UNII:
QM6J8F29FE
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.168g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.441g/mol
Monoisotopic Mass:
358.168g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Effects of bioisosteric fluorine in synthetic cannabinoid designer drugs JWH-018, AM-2201, UR-144, XLR-11, PB-22, 5F-PB-22, APICA, and STS-135. ACS chemical neuroscience 20150819
Properties