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Chemical ID: 6464817
Chemical ID:
6464817
Name [?]:
2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyleneamino]quinoline-3-carboxamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(n2)C)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C22H23N3O4/c1-13-6-7-18-16(8-13)11-17(14(2)24-18)22(26)25-23-12-15-9-19(27-3)21(29-5)20(10-15)28-4/h6-12H,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,12,25,29,27,3,4,7,23,19,8,17,2,10,18,6,9,5,22,20,21,13,16,11,15,14,24,28,26/E:(3,4)(9,10)(19,20)(27,28)/rA:29nCCCCCCCCCCNCCONNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s9;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88908 |
Area: | 589.658 |
Solvation: | -7.85236 |
Coulombic: | -44.7461 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.19 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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