ChemDB: Chemical Search
Download
Chemical ID: 4807767
Chemical ID:
4807767
Name [?]:
2-methoxy-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-quinoline
SMILES [?]:
CCCc1nc(no1)c2cc3cccc(c3nc2OC)C
InChi [?]:
InChI=1/C16H17N3O2/c1-4-6-13-17-15(19-21-13)12-9-11-8-5-7-10(2)14(11)18-16(12)20-3/h5,7-9H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,20,2,13,3,14,12,10,15,11,9,4,16,6,18,5,17,7,19,8/rA:21nCCCCNCNOCCCCCCCCNCOCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;s13;d14;s11s15;d16;d9s17;s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62508 |
Area: | 479.855 |
Solvation: | -2.37129 |
Coulombic: | -26.609 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.325 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.09 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|