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Chemical ID: 6719739
Chemical ID:
6719739
Name [?]:
ethyl 6-ethoxy-4-isopropylamino-quinoline-3-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)c(c(cn2)C(=O)OCC)NC(C)C
InChi [?]:
InChI=1/C17H22N2O3/c1-5-21-12-7-8-15-13(9-12)16(19-11(3)4)14(10-18-15)17(20)22-6-2/h7-11H,5-6H2,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,21,22,2,17,5,6,9,12,20,4,8,11,7,10,14,13,19,15,3,16/E:(3,4)/rA:22nCCOCCCCCCCCCNCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s11;d14;s14;s16;s17;s10;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20749 |
Area: | 503.659 |
Solvation: | -3.38398 |
Coulombic: | -42.9026 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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