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Chemical ID: 7037835
Chemical ID:
7037835
Name [?]:
4-methyl-8-(2-pyridylmethoxy)quinoline
SMILES [?]:
Cc1ccnc2c1cccc2OCc3ccccn3
InChi [?]:
InChI=1/C16H14N2O/c1-12-8-10-18-16-14(12)6-4-7-15(16)19-11-13-5-2-3-9-17-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,9,15,8,10,3,18,4,13,2,14,7,11,6,19,5,12/rA:19nCCCCNCCCCCCOCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82779 |
Area: | 438.862 |
Solvation: | -3.14376 |
Coulombic: | -19.2195 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.02 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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