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Chemical ID: 5742268
Chemical ID:
5742268
Name [?]:
2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-6-ethyl-quinoline-4-carboxamide
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccc(cc3)Cl)C(=O)Nc4c(cccc4C)C
InChi [?]:
InChI=1/C26H23ClN2O/c1-4-18-8-13-23-21(14-18)22(15-24(28-23)19-9-11-20(27)12-10-19)26(30)29-25-16(2)6-5-7-17(25)3/h5-15H,4H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,29,30,2,26,27,25,4,14,18,15,17,5,8,10,28,24,3,13,16,7,9,6,11,23,20,19,12,22,21/E:(2,3)(6,7)(9,10)(11,12)(16,17)/rA:30nCCCCCCCCCCCNCCCCCCClCONCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23ClN2O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8291 |
Area: | 650.863 |
Solvation: | -2.44247 |
Coulombic: | -30.0659 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.926 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.1 |
LogP (Chemaxon): | 6.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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