Chemical ID: 6570495

c1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)NCc4ccncc4
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

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Descriptor Annotations

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