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Chemical ID: 7386403
Chemical ID:
7386403
Name [?]:
N-[(2-hydroxy-8-methyl-3-quinolyl)methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1cccc2c1nc(c(c2)CN(CCOC)C(=O)c3ccccc3)O
InChi [?]:
InChI=1/C21H22N2O3/c1-15-7-6-10-17-13-18(20(24)22-19(15)17)14-23(11-12-26-2)21(25)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,23,22,24,4,3,21,25,5,14,15,11,12,2,20,6,10,7,9,18,8,13,26,19,16/E:(4,5)(8,9)/rA:26nCCCCCCCNCCCCNCCOCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s10;s12;s13;s14;s15;s16;s13;d18;s18;s20;d21;s22;d23;d20s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38796 |
Area: | 547.36 |
Solvation: | -4.29603 |
Coulombic: | -49.504 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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