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Chemical ID: 4574796
Chemical ID:
4574796
Name [?]:
N-[(2-hydroxy-6-methoxy-3-quinolyl)methyl]-N-methyl-benzamide
SMILES [?]:
CN(Cc1cc2cc(ccc2nc1O)OC)C(=O)c3ccccc3
InChi [?]:
InChI=1/C19H18N2O3/c1-21(19(23)13-6-4-3-5-7-13)12-15-10-14-11-16(24-2)8-9-17(14)20-18(15)22/h3-11H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,22,21,23,20,24,9,10,5,7,3,19,6,4,8,11,13,17,12,2,14,18,15/E:(4,5)(6,7)/rA:24nCNCCCCCCCCCNCOOCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s6s10;d11;d4s12;s13;s8;s15;s2;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70967 |
Area: | 514.638 |
Solvation: | -4.15629 |
Coulombic: | -48.1205 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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