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88709-36-8 | 3-Quinolinecarboxylic acid, 2-(3,5-dimethyl-1-piperidinyl)-
CAS No: 88709-36-8 Catalog No: AG0046DJ MDL No:
Product Description
Catalog Number:
AG0046DJ
Chemical Name:
3-Quinolinecarboxylic acid, 2-(3,5-dimethyl-1-piperidinyl)-
CAS Number:
88709-36-8
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
2-(3,5-dimethylpiperidin-1-yl)quinoline-3-carboxylic acid
InChI:
InChI=1S/C17H20N2O2/c1-11-7-12(2)10-19(9-11)16-14(17(20)21)8-13-5-3-4-6-15(13)18-16/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,20,21)
InChI Key:
XYWNGSPKTGLNFG-UHFFFAOYSA-N
SMILES:
CC1CC(C)CN(C1)c1nc2ccccc2cc1C(=O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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