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Chemical ID: 6348533
Chemical ID:
6348533
Name [?]:
2-(2-chlorophenyl)-N-phenethyl-quinoline-4-carboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(nc3c2cccc3)c4ccccc4Cl
InChi [?]:
InChI=1/C24H19ClN2O/c25-21-12-6-4-11-19(21)23-16-20(18-10-5-7-13-22(18)27-23)24(28)26-15-14-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,19,25,20,3,5,18,23,26,21,7,8,13,4,17,22,12,27,16,14,10,28,9,15,11/E:(2,3)(8,9)/rA:28nCCCCCCCCNCOCCCNCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s14;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClN2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4754 |
Area: | 604.873 |
Solvation: | -2.64643 |
Coulombic: | -31.3711 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.05 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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