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89391-13-9 | 4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-, ethyl ester
CAS No: 89391-13-9 Catalog No: AG003WCW MDL No:
Product Description
Catalog Number:
AG003WCW
Chemical Name:
4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-, ethyl ester
CAS Number:
89391-13-9
Molecular Formula:
C20H16N2O2
Molecular Weight:
316.3532
IUPAC Name:
ethyl 2-(1H-indol-3-yl)quinoline-4-carboxylate
InChI:
InChI=1S/C20H16N2O2/c1-2-24-20(23)15-11-19(22-18-10-6-4-7-13(15)18)16-12-21-17-9-5-3-8-14(16)17/h3-12,21H,2H2,1H3
InChI Key:
HBPOUBMGJIPMDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nc2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.36g/mol
Monoisotopic Mass:
316.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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