Chemical ID: 5567131

CC(=Nc1cccc(n1)N)c2c(c3ccccc3n(c2=O)c4ccccc4)O
Chemical ID:
5567131
Name [?]:
3-[1-[(6-amino-2-pyridyl)imino]ethyl]-4-hydroxy-1-phenyl-quinolin-2-one
SMILES [?]:
CC(=Nc1cccc(n1)N)c2c(c3ccccc3n(c2=O)c4ccccc4)O
InChi [?]:
InChI=1/C22H18N4O2/c1-14(24-19-13-7-12-18(23)25-19)20-21(27)16-10-5-6-11-17(16)26(22(20)28)15-8-3-2-4-9-15/h2-13,27H,1H3,(H2,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,15,16,6,23,27,14,17,7,5,2,22,13,18,8,4,11,12,20,10,3,9,19,28,21/E:(3,4)(8,9)/rA:28nCCNCCCCCNNCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s2;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;s22;d23;s24;d25;d22s26;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0517
Area:569.019
Solvation:-3.17383
Coulombic:-61.591
Bond Count [?]
All:31
Single:19
Double:12
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:370.404
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):4.44

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