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Chemical ID: 4224082
Chemical ID:
4224082
Name [?]:
3-methyl-2-(p-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)c2c(c(c3ccccc3n2)C(=O)O)C
InChi [?]:
InChI=1/C18H15NO2/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,13,14,12,15,3,7,4,6,2,9,5,11,16,10,8,18,17,19,20/E:(7,8)(9,10)(20,21)/rA:21nCCCCCCCCCCCCCCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46819 |
Area: | 461.199 |
Solvation: | -2.06178 |
Coulombic: | -35.1198 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 277.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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