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Chemical ID: 5148132
Chemical ID:
5148132
Name [?]:
6-isopropyl-2-(2-pyridyl)quinoline-4-carboxylic acid
SMILES [?]:
CC(C)c1ccc2c(c1)c(cc(n2)c3ccccn3)C(=O)O
InChi [?]:
InChI=1/C18H16N2O2/c1-11(2)12-6-7-15-13(9-12)14(18(21)22)10-17(20-15)16-5-3-4-8-19-16/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,5,6,18,9,11,2,4,8,10,7,14,12,20,19,13,21,22/E:(1,2)(21,22)/rA:22nCCCCCCCCCCCCNCCCCCNCOO/rB:s1;s2;s2;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s12;s14;d15;s16;d17;d14s18;s10;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1909 |
Area: | 489.446 |
Solvation: | -2.04523 |
Coulombic: | -40.1818 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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