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89391-07-1 | 4-Quinolinecarboxylic acid, 2-(2-methyl-1H-indol-3-yl)-
CAS No: 89391-07-1 Catalog No: AG003WBA MDL No:
Product Description
Catalog Number:
AG003WBA
Chemical Name:
4-Quinolinecarboxylic acid, 2-(2-methyl-1H-indol-3-yl)-
CAS Number:
89391-07-1
Molecular Formula:
C19H14N2O2
Molecular Weight:
302.3267
IUPAC Name:
2-(2-methyl-1H-indol-3-yl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C19H14N2O2/c1-11-18(13-7-3-5-9-16(13)20-11)17-10-14(19(22)23)12-6-2-4-8-15(12)21-17/h2-10,20H,1H3,(H,22,23)
InChI Key:
WSVHMNIUADYVBF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2)c1c(C)[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:
302.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.333g/mol
Monoisotopic Mass:
302.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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