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Chemical ID: 4665269
Chemical ID:
4665269
Name [?]:
ethyl 1-ethyl-4-oxo-quinoline-3-carboxylate
SMILES [?]:
CCn1cc(c(=O)c2c1cccc2)C(=O)OCC
InChi [?]:
InChI=1/C14H15NO3/c1-3-15-9-11(14(17)18-4-2)13(16)10-7-5-6-8-12(10)15/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,12,11,13,10,4,8,5,9,6,14,3,7,15,16/rA:18nCCNCCCOCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s5;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05156 |
Area: | 430.635 |
Solvation: | -2.71432 |
Coulombic: | -34.3392 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.274 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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