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Chemical ID: 7085843
Chemical ID:
7085843
Name [?]:
3,8-dimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1nc(c(c2C(=O)O)C)c3ccccc3
InChi [?]:
InChI=1/C18H15NO2/c1-11-7-6-10-14-15(18(20)21)12(2)17(19-16(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,19,18,20,4,3,17,21,5,2,10,16,6,11,7,9,12,8,13,14/E:(4,5)(8,9)(20,21)/rA:21nCCCCCCCNCCCCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s10;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43828 |
Area: | 457.889 |
Solvation: | -2.00894 |
Coulombic: | -35.2961 |
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: | 4.22 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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