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Chemical ID: 5567122
Chemical ID:
5567122
Name [?]:
4-hydroxy-3-[1-(3-methoxyphenyl)iminoethyl]-1-phenyl-quinolin-2-one
SMILES [?]:
CC(=Nc1cccc(c1)OC)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C24H20N2O3/c1-16(25-17-9-8-12-19(15-17)29-2)22-23(27)20-13-6-7-14-21(20)26(24(22)28)18-10-4-3-5-11-18/h3-15,27H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,26,25,27,16,17,6,5,24,28,7,15,18,9,2,4,23,8,14,19,12,13,21,3,20,29,22,10/E:(4,5)(10,11)/rA:29nCCNCCCCCCOCCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s10;s2;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s20;s23;d24;s25;d26;d23s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7787 |
Area: | 594.854 |
Solvation: | -4.09267 |
Coulombic: | -47.091 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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