ChemDB: Chemical Search
Download
Chemical ID: 5567126
Chemical ID:
5567126
Name [?]:
4-hydroxy-3-[1-(o-tolylimino)ethyl]-1-phenyl-quinolin-2-one
SMILES [?]:
Cc1ccccc1N=C(C)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C24H20N2O2/c1-16-10-6-8-14-20(16)25-17(2)22-23(27)19-13-7-9-15-21(19)26(24(22)28)18-11-4-3-5-12-18/h3-15,27H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,24,26,4,15,5,16,3,23,27,14,6,17,2,9,22,13,7,18,11,12,20,8,19,28,21/E:(4,5)(11,12)/rA:28nCCCCCCCNCCCCCCCCCCNCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;s22;d23;s24;d25;d22s26;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2592 |
Area: | 570.009 |
Solvation: | -2.99107 |
Coulombic: | -40.46 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 368.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.51 |
LogP (Chemaxon): | 5.61 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|