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Chemical ID: 4573049
Chemical ID:
4573049
Name [?]:
N-[(2-hydroxy-7-methoxy-3-quinolyl)methyl]-3,4-dimethoxy-N-methyl-benzamide
SMILES [?]:
CN(Cc1cc2ccc(cc2nc1O)OC)C(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H22N2O5/c1-23(21(25)14-6-8-18(27-3)19(10-14)28-4)12-15-9-13-5-7-16(26-2)11-17(13)22-20(15)24/h5-11H,12H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,28,26,7,20,8,21,5,24,10,3,6,19,4,9,11,22,23,13,17,12,2,14,18,15,27,25/rA:28nCNCCCCCCCCCNCOOCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s6s10;d11;d4s12;s13;s9;s15;s2;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11542 |
Area: | 587.887 |
Solvation: | -7.58176 |
Coulombic: | -60.1346 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.41 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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