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Chemical ID: 6464848
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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