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Chemical ID: 4572440
Chemical ID:
4572440
Name [?]:
N-[(2-hydroxy-7-methoxy-3-quinolyl)methyl]-4-methoxy-N-methyl-benzamide
SMILES [?]:
CN(Cc1cc2ccc(cc2nc1O)OC)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O4/c1-22(20(24)13-4-7-16(25-2)8-5-13)12-15-10-14-6-9-17(26-3)11-18(14)21-19(15)23/h4-11H,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,20,24,7,21,23,8,5,10,3,19,6,4,22,9,11,13,17,12,2,14,18,25,15/E:(4,5)(7,8)/rA:26nCNCCCCCCCCCNCOOCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s6s10;d11;d4s12;s13;s9;s15;s2;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34439 |
Area: | 552.83 |
Solvation: | -5.47637 |
Coulombic: | -54.2183 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.53 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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