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Chemical ID: 4236427
Chemical ID:
4236427
Name [?]:
2-(2,8-dimethyl-4-oxo-1-quinolyl)-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cccc2c1n(c(cc2=O)C)CC(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C20H20N2O3/c1-13-6-4-9-17-18(23)10-14(2)22(20(13)17)12-19(24)21-15-7-5-8-16(11-15)25-3/h4-11H,12H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,13,25,4,20,3,19,21,5,10,23,14,2,9,18,22,6,11,15,7,17,8,12,16,24/rA:25nCCCCCCCNCCCOCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s10;d11;s9;s8;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21221 |
Area: | 535.29 |
Solvation: | -5.17003 |
Coulombic: | -41.5861 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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