Chemical ID: 5145936

Cc1ccccc1c2cc(c3cc(cc(c3n2)C)C)C(=O)O
Chemical ID:
5145936
Name [?]:
6,8-dimethyl-2-(o-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccccc1c2cc(c3cc(cc(c3n2)C)C)C(=O)O
InChi [?]:
InChI=1/C19H17NO2/c1-11-8-13(3)18-15(9-11)16(19(21)22)10-17(20-18)14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:19,1,18,4,5,3,6,14,12,9,13,2,15,7,11,10,8,16,20,17,21,22/E:(21,22)/rA:22nCCCCCCCCCCCCCCCCNCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s15;s13;s10;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1022
Area:479.076
Solvation:-1.8747
Coulombic:-35.0475
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.87
LogP (Chemaxon):5.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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