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Chemical ID: 7122983
Chemical ID:
7122983
Name [?]:
2-(4-isopropylphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(cc3)C(C)C
InChi [?]:
InChI=1/C20H19NO2/c1-12(2)14-7-9-15(10-8-14)18-11-17(20(22)23)16-6-4-5-13(3)19(16)21-18/h4-12H,1-3H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:22,23,1,4,3,5,17,19,16,20,10,21,2,18,15,6,11,9,7,12,8,13,14/E:(1,2)(7,8)(9,10)(22,23)/rA:23nCCCCCCCNCCCCOO-CCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s18;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18NO2- |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.4132 |
Area: | 509.22 |
Solvation: | -41.1437 |
Coulombic: | -10.5857 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.92 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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