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Chemical ID: 6807066
Chemical ID:
6807066
Name [?]:
6-isopropyl-2-(4-methoxyphenyl)-N-(p-tolylmethyl)quinoline-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)c2cc(nc3c2cc(cc3)C(C)C)c4ccc(cc4)OC
InChi [?]:
InChI=1/C28H28N2O2/c1-18(2)22-11-14-26-24(15-22)25(28(31)29-17-20-7-5-19(3)6-8-20)16-27(30-26)21-9-12-23(32-4)13-10-21/h5-16,18H,17H2,1-4H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:23,24,1,32,3,7,4,6,26,30,20,27,29,21,18,13,8,22,2,5,25,19,28,17,12,16,14,10,9,15,11,31/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:32nCCCCCCCCNCOCCCNCCCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s19;s22;s22;s14;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28N2O2 |
All Atoms: | 60 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7719 |
Area: | 695.588 |
Solvation: | -3.61779 |
Coulombic: | -38.0014 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.534 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 7.03 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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