Chemical ID: 5148132

CC(C)c1ccc2c(c1)c(cc(n2)c3ccccn3)C(=O)O
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

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