Chemical ID: 4542281

Cc1c(cc2ccccc2n1)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
Chemical ID:
4542281
Name [?]:
2-methyl-N-[(3,4,5-trimethoxyphenyl)methyleneamino]quinoline-3-carboxamide
SMILES [?]:
Cc1c(cc2ccccc2n1)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C21H21N3O4/c1-13-16(11-15-7-5-6-8-17(15)23-13)21(25)24-22-12-14-9-18(26-2)20(28-4)19(10-14)27-3/h5-12H,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,7,8,6,9,22,18,4,16,2,17,5,3,10,21,19,20,12,15,11,14,13,23,27,25/E:(2,3)(9,10)(18,19)(26,27)/rA:28nCCCCCCCCCCNCONNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s3;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.47668
Area:574.417
Solvation:-7.88374
Coulombic:-45.1231
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:379.409
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.75
LogP (Chemaxon):2.75

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Descriptor Annotations

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