Chemical ID: 5567107

Cc1ccc(c(c1)N=C(C)c2c(c3ccccc3n(c2=O)c4ccccc4)O)O
Chemical ID:
5567107
Name [?]:
4-hydroxy-3-[1-(2-hydroxy-5-methyl-phenyl)iminoethyl]-1-phenyl-quinolin-2-one
SMILES [?]:
Cc1ccc(c(c1)N=C(C)c2c(c3ccccc3n(c2=O)c4ccccc4)O)O
InChi [?]:
InChI=1/C24H20N2O3/c1-15-12-13-21(27)19(14-15)25-16(2)22-23(28)18-10-6-7-11-20(18)26(24(22)29)17-8-4-3-5-9-17/h3-14,27-28H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,24,26,15,16,23,27,14,17,3,4,7,2,9,22,13,6,18,5,11,12,20,8,19,29,28,21/E:(4,5)(8,9)/rA:29nCCCCCCCNCCCCCCCCCCNCOCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;s22;d23;s24;d25;d22s26;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.0881
Area:587.258
Solvation:-3.59339
Coulombic:-56.4417
Bond Count [?]
All:32
Single:20
Double:12
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:384.427
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.32
LogP (Chemaxon):5.32

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue