Chemical ID: 5567121

CC(=Nc1cccnc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
Chemical ID:
5567121
Name [?]:
4-hydroxy-1-phenyl-3-[1-(3-pyridylimino)ethyl]quinolin-2-one
SMILES [?]:
CC(=Nc1cccnc1)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C22H17N3O2/c1-15(24-16-8-7-13-23-14-16)20-21(26)18-11-5-6-12-19(18)25(22(20)27)17-9-3-2-4-10-17/h2-14,26H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,14,15,6,5,22,26,13,16,7,9,2,4,21,12,17,10,11,19,8,3,18,27,20/E:(3,4)(9,10)/rA:27nCCNCCCCNCCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s2;d10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;d19;s18;s21;d22;s23;d24;d21s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6185
Area:555.131
Solvation:-3.25983
Coulombic:-44.2547
Bond Count [?]
All:30
Single:18
Double:12
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:355.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.03
LogP (Chemaxon):3.83

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Descriptor Annotations

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