Chemical ID: 5578959

Cc1ccc(cc1)NN=C2C(=NNC2=O)c3c(c4ccccc4n(c3=O)C)O
Chemical ID:
5578959
Name [?]:
4-hydroxy-1-methyl-3-[5-oxo-4-(p-tolylaminoimino)-1H-pyrazol-3-yl]-quinolin-2-one
SMILES [?]:
Cc1ccc(cc1)NN=C2C(=NNC2=O)c3c(c4ccccc4n(c3=O)C)O
InChi [?]:
InChI=1/C20H17N5O3/c1-11-7-9-12(10-8-11)21-23-17-16(22-24-19(17)27)15-18(26)13-5-3-4-6-14(13)25(2)20(15)28/h3-10,21,26H,1-2H3,(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,27,20,21,19,22,3,7,4,6,2,5,18,23,16,11,10,17,14,25,8,12,9,13,24,28,15,26/E:(7,8)(9,10)/rA:28nCCCCCCCNNCCNNCOCCCCCCCCNCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;w9;s10;d11;s12;s10s13;d14;s11;d16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;d25;s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N5O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.2271
Area:560.624
Solvation:-3.78852
Coulombic:-63.3324
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:375.381
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.76
LogP (Chemaxon):4.45

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Descriptor Annotations

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