Chemical ID: 5567117

CC(=NCc1ccncc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
Chemical ID:
5567117
Name [?]:
4-hydroxy-1-phenyl-3-[1-(4-pyridylmethylimino)ethyl]quinolin-2-one
SMILES [?]:
CC(=NCc1ccncc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C23H19N3O2/c1-16(25-15-17-11-13-24-14-12-17)21-22(27)19-9-5-6-10-20(19)26(23(21)28)18-7-3-2-4-8-18/h2-14,27H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,16,23,27,14,17,6,10,7,9,4,2,5,22,13,18,11,12,20,8,3,19,28,21/E:(3,4)(7,8)(11,12)(13,14)/rA:28nCCNCCCCNCCCCCCCCCCNCOCCCCCCO/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:10.5548
Area:579.293
Solvation:-3.92755
Coulombic:-43.9159
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

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Descriptor Annotations

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