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Chemical ID: 6525223
Chemical ID:
6525223
Name [?]:
3-(4-fluorophenyl)-1-(2-methyl-4-quinolyl)-urea
SMILES [?]:
Cc1cc(c2ccccc2n1)NC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C17H14FN3O/c1-11-10-16(14-4-2-3-5-15(14)19-11)21-17(22)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,18,20,17,21,3,2,19,16,5,10,4,13,22,11,15,12,14/E:(6,7)(8,9)/rA:22nCCCCCCCCCCNNCONCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14FN3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81809 |
Area: | 476.523 |
Solvation: | -3.09499 |
Coulombic: | -43.388 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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