Chemical ID: 6807066

Cc1ccc(cc1)CNC(=O)c2cc(nc3c2cc(cc3)C(C)C)c4ccc(cc4)OC
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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