Chemical ID: 7085840

Cc1ccc(cc1)c2c(c(c3cc(cc(c3n2)C)C)C(=O)O)C
Chemical ID:
7085840
Name [?]:
3,6,8-trimethyl-2-(p-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)c2c(c(c3cc(cc(c3n2)C)C)C(=O)O)C
InChi [?]:
InChI=1/C20H19NO2/c1-11-5-7-15(8-6-11)19-14(4)17(20(22)23)16-10-12(2)9-13(3)18(16)21-19/h5-10H,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,18,23,3,7,4,6,14,12,2,13,15,9,5,11,10,16,8,20,17,21,22/E:(5,6)(7,8)(22,23)/rA:23nCCCCCCCCCCCCCCCCNCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s15;s13;s10;d20;s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5516
Area:503.051
Solvation:-2.02466
Coulombic:-34.8121
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.37
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.09
LogP (Chemaxon):5.44

Name Annotations

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Descriptor Annotations

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