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Chemical ID: 6570495
Chemical ID:
6570495
Name [?]:
2-(4-fluorophenyl)-N-(4-pyridylmethyl)quinoline-4-carboxamide
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)NCc4ccncc4
InChi [?]:
InChI=1/C22H16FN3O/c23-17-7-5-16(6-8-17)21-13-19(18-3-1-2-4-20(18)26-21)22(27)25-14-15-9-11-24-12-10-15/h1-13H,14H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,23,27,24,26,8,21,22,11,14,5,7,4,9,18,17,25,20,10,19/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCCCNCCCCCCFCONCCCCNCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16FN3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4323 |
Area: | 571.853 |
Solvation: | -3.86402 |
Coulombic: | -37.0701 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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