Chemical ID: 4807767

CCCc1nc(no1)c2cc3cccc(c3nc2OC)C
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

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Descriptor Annotations

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