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Chemical ID: 5567117
Chemical ID:
5567117
Name [?]:
4-hydroxy-1-phenyl-3-[1-(4-pyridylmethylimino)ethyl]quinolin-2-one
SMILES [?]:
CC(=NCc1ccncc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C23H19N3O2/c1-16(25-15-17-11-13-24-14-12-17)21-22(27)19-9-5-6-10-20(19)26(23(21)28)18-7-3-2-4-8-18/h2-14,27H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,16,23,27,14,17,6,10,7,9,4,2,5,22,13,18,11,12,20,8,3,19,28,21/E:(3,4)(7,8)(11,12)(13,14)/rA:28nCCNCCCCNCCCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;s5;d6;s7;d8;d5s9;s2;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;s22;d23;s24;d25;d22s26;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5548 |
Area: | 579.293 |
Solvation: | -3.92755 |
Coulombic: | -43.9159 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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