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Chemical ID: 6356305
Chemical ID:
6356305
Name [?]:
2-(4-methoxyphenyl)-N-(1-phenylethyl)quinoline-4-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H22N2O2/c1-17(18-8-4-3-5-9-18)26-25(28)22-16-24(19-12-14-20(29-2)15-13-19)27-23-11-7-6-10-21(22)23/h3-17H,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,6,5,7,19,20,4,8,18,21,23,27,24,26,13,2,3,22,25,17,12,16,14,10,9,15,11,28/E:(4,5)(8,9)(12,13)(14,15)/rA:29cCCCCCCCCNCOCCCNCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s14;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7356 |
Area: | 615.238 |
Solvation: | -3.64539 |
Coulombic: | -37.9389 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.71 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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