Chemical ID: 6464817

Cc1ccc2c(c1)cc(c(n2)C)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
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

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Descriptor Annotations

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