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Chemical ID: 6804821
Chemical ID:
6804821
Name [?]:
3-ethyl-2-phenyl-N-(p-tolylmethyl)quinoline-4-carboxamide
SMILES [?]:
CCc1c(c2ccccc2nc1c3ccccc3)C(=O)NCc4ccc(cc4)C
InChi [?]:
InChI=1/C26H24N2O/c1-3-21-24(26(29)27-17-19-15-13-18(2)14-16-19)22-11-7-8-12-23(22)28-25(21)20-9-5-4-6-10-20/h4-16H,3,17H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,2,16,15,17,7,8,14,18,6,9,25,27,24,28,22,26,23,13,3,5,10,4,12,19,21,11,20/E:(5,6)(9,10)(13,14)(15,16)/rA:29nCCCCCCCCCCNCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;s12;s13;d14;s15;d16;d13s17;s4;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1048 |
Area: | 617.032 |
Solvation: | -2.32102 |
Coulombic: | -31.8755 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.4 |
LogP (Chemaxon): | 6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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