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Chemical ID: 4812694
Chemical ID:
4812694
Name [?]:
N-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILES [?]:
CCCn1c2c(c(c(c1=O)C(=O)Nc3ccc(cc3)OCC)O)CCCC2
InChi [?]:
InChI=1/C21H26N2O4/c1-3-13-23-17-8-6-5-7-16(17)19(24)18(21(23)26)20(25)22-14-9-11-15(12-10-14)27-4-2/h9-12,24H,3-8,13H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,25,26,24,27,15,19,16,18,3,14,17,6,5,8,7,11,9,13,4,23,12,10,20/E:(9,10)(11,12)/rA:27nCCCNCCCCCOCONCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s4s8;d9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s7;s6;s24;s25;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4509 |
Area: | 587.943 |
Solvation: | -4.24773 |
Coulombic: | -60.274 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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