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Chemical ID: 7114457
Chemical ID:
7114457
Name [?]:
ethyl 7-methoxy-2-methyl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc2ccc(cc2nc1C)OC
InChi [?]:
InChI=1/C14H15NO3/c1-4-18-14(16)12-7-10-5-6-11(17-3)8-13(10)15-9(12)2/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,18,2,9,10,7,12,15,8,11,6,13,4,14,5,17,3/rA:18nCCOCOCCCCCCCCNCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO3 |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85875 |
Area: | 433.589 |
Solvation: | -2.98097 |
Coulombic: | -32.0955 |
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: | 2.71 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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