OSG

7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine

Created: 2019-07-03
Last modified:  2020-04-29

Find related ligands:

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count49
Aromatic Bond Count17
2D diagram of OSG

Chemical Component Summary

Name7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
Systematic Name (OpenEye OEToolkits)7-[3-(aminomethyl)-4-propoxy-phenyl]-4-methyl-quinolin-2-amine
FormulaC20 H23 N3 O
Molecular Weight321.416
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C
SMILESCACTVS3.385CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
SMILESOpenEye OEToolkits2.0.7CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C
Canonical SMILESCACTVS3.385 CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
Canonical SMILESOpenEye OEToolkits2.0.7 CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C
InChIInChI1.03 InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)
InChIKeyInChI1.03 WKYWHPWEQYJUAT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146025972