Chemical ID: 6464848

Cc1c(cc2ccccc2n1)C(=O)NN=Cc3ccc(c(c3)O)OC
Chemical ID:
6464848
Name [?]:
N-[(3-hydroxy-4-methoxy-phenyl)methyleneamino]-2-methyl-quinoline-3-carboxamide
SMILES [?]:
Cc1c(cc2ccccc2n1)C(=O)NN=Cc3ccc(c(c3)O)OC
InChi [?]:
InChI=1/C19H17N3O3/c1-12-15(10-14-5-3-4-6-16(14)21-12)19(24)22-20-11-13-7-8-18(25-2)17(23)9-13/h3-11,23H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,7,8,6,9,18,19,22,4,16,2,17,5,3,10,21,20,12,15,11,14,23,13,24/rA:25nCCCCCCCCCCNCONNCCCCCCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s3;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.49252
Area:534.947
Solvation:-5.88116
Coulombic:-47.4001
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:335.357
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.92
LogP (Chemaxon):2.97

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