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89391-10-6 | 4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl-
CAS No: 89391-10-6 Catalog No: AG003WCX MDL No:
Product Description
Catalog Number:
AG003WCX
Chemical Name:
4-Quinolinecarboxylic acid, 2-(1H-indol-3-yl)-3,6-dimethyl-
CAS Number:
89391-10-6
Molecular Formula:
C20H16N2O2
Molecular Weight:
316.3532
IUPAC Name:
2-(1H-indol-3-yl)-3,6-dimethylquinoline-4-carboxylic acid
InChI:
InChI=1S/C20H16N2O2/c1-11-7-8-17-14(9-11)18(20(23)24)12(2)19(22-17)15-10-21-16-6-4-3-5-13(15)16/h3-10,21H,1-2H3,(H,23,24)
InChI Key:
RYVDPIDVRSNOHR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C(=O)O)c(c(n2)c1c[nH]c2c1cccc2)C
Properties
Complexity:
482
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:
2
Isotope Atom Count:
0
Molecular Weight:
316.36g/mol
Monoisotopic Mass:
316.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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