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Chemical ID: 5145942
Chemical ID:
5145942
Name [?]:
2-(3,4-dimethylphenyl)-6,8-dimethyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1C)c2cc(c3cc(cc(c3n2)C)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO2/c1-11-7-14(4)19-16(8-11)17(20(22)23)10-18(21-19)15-6-5-12(2)13(3)9-15/h5-10H,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:20,1,8,19,3,4,15,13,6,10,14,2,7,16,5,12,11,9,17,21,18,22,23/E:(22,23)/rA:23nCCCCCCCCCCCCCCCCCNCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s14;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7685 |
Area: | 508.237 |
Solvation: | -1.93744 |
Coulombic: | -34.7228 |
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: | 5.31 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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