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870157-72-5 | 1(2H)-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-, ethyl ester
CAS No: 870157-72-5 Catalog No: AG004NR4 MDL No:
Product Description
Catalog Number:
AG004NR4
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-, ethyl ester
CAS Number:
870157-72-5
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
IUPAC Name:
ethyl 2-(1H-indol-3-yl)-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C20H18N2O2/c1-2-24-20(23)22-18-10-6-3-7-14(18)11-12-19(22)16-13-21-17-9-5-4-8-15(16)17/h3-13,19,21H,2H2,1H3
InChI Key:
JDRVMQSJVBJFBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1c2ccccc2C=CC1c1c[nH]c2c1cccc2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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