5R9

6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline

Created:2015-11-16
Last modified:  2016-01-05

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count42
Aromatic Bond Count11
2D diagram of 5R9

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Chemical Component Summary

Name6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
Systematic Name (OpenEye OEToolkits)6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
FormulaC16 H21 N3
Molecular Weight255.358
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1CCCN(CC1)Cc2ccc3ncccc3c2
SMILESOpenEye OEToolkits2.0.4CN1CCCN(CC1)Cc2ccc3c(c2)cccn3
Canonical SMILESCACTVS3.385 CN1CCCN(CC1)Cc2ccc3ncccc3c2
Canonical SMILESOpenEye OEToolkits2.0.4 CN1CCCN(CC1)Cc2ccc3c(c2)cccn3
InChIInChI1.03 InChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3
InChIKeyInChI1.03 DIQRHBUDTKMUNJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 102596393
ChEMBL CHEMBL3765077