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Chemical ID: 7403686
Chemical ID:
7403686
Name [?]:
N-[(2-hydroxy-6-methyl-3-quinolyl)methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(n2)O)CN(CCOC)C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O3/c1-15-8-9-19-17(12-15)13-18(20(24)22-19)14-23(10-11-26-2)21(25)16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,18,24,23,25,22,26,3,4,15,16,7,8,13,2,21,6,9,5,10,19,11,14,12,20,17/E:(4,5)(6,7)/rA:26nCCCCCCCCCCNOCNCCOCCOCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s9;s13;s14;s15;s16;s17;s14;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71079 |
Area: | 554.647 |
Solvation: | -5.15539 |
Coulombic: | -48.3076 |
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: | 3.95 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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