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Chemical ID: 3966589
Chemical ID:
3966589
Name [?]:
6-ethoxy-2,2,4-trimethyl-1H-quinoline
SMILES [?]:
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C
InChi [?]:
InChI=1/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,14,15,2,5,6,9,11,10,4,8,7,12,13,3/E:(3,4)/rA:16nCCOCCCCCCCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s11;s7s12;s12;s12;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03077 |
Area: | 404.123 |
Solvation: | -2.0723 |
Coulombic: | -19.8935 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 217.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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