Chemical ID: 5567115

CC(=NCc1cccnc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
Chemical ID:
5567115
Name [?]:
4-hydroxy-1-phenyl-3-[1-(3-pyridylmethylimino)ethyl]quinolin-2-one
SMILES [?]:
CC(=NCc1cccnc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C23H19N3O2/c1-16(25-15-17-8-7-13-24-14-17)21-22(27)19-11-5-6-12-20(19)26(23(21)28)18-9-3-2-4-10-18/h2-14,27H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,16,7,6,23,27,14,17,8,10,4,2,5,22,13,18,11,12,20,9,3,19,28,21/E:(3,4)(9,10)/rA:28nCCNCCCCCNCCCCCCCCCNCOCCCCCCO/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:10.5892
Area:578.849
Solvation:-3.88201
Coulombic:-44.1103
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

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