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Chemical ID: 5567137
Chemical ID:
5567137
Name [?]:
4-hydroxy-1-phenyl-3-[1-[2-(2-pyridyl)ethylimino]ethyl]quinolin-2-one
SMILES [?]:
CC(=NCCc1ccccn1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C24H21N3O2/c1-17(25-16-14-18-9-7-8-15-26-18)22-23(28)20-12-5-6-13-21(20)27(24(22)29)19-10-3-2-4-11-19/h2-13,15,28H,14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,16,17,8,9,7,24,28,15,18,5,10,4,2,6,23,14,19,12,13,21,3,11,20,29,22/E:(3,4)(10,11)/rA:29nCCNCCCCCCCNCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;s5;s6;d7;s8;d9;d6s10;s2;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s20;s23;d24;s25;d26;d23s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8289 |
Area: | 612.201 |
Solvation: | -3.47614 |
Coulombic: | -44.5864 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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