68M

(2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

Created: 2016-02-17
Last modified:  2016-03-30

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count1
Bond Count64
Aromatic Bond Count17
2D diagram of 68M
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Chemical Component Summary

Name(2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-3-[2-azanyl-6-(3-methylpyridin-2-yl)quinolin-3-yl]-~{N}-(3,3-dimethylbutyl)-2-methyl-propanamide
FormulaC25 H32 N4 O
Molecular Weight404.548
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CC(C)(C)CCNC(=O)C(C)Cc1cc2cc(ccc2nc1N)c3c(cccn3)C
SMILESCACTVS3.385C[CH](Cc1cc2cc(ccc2nc1N)c3ncccc3C)C(=O)NCCC(C)(C)C
SMILESOpenEye OEToolkits2.0.4Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)CC(C)C(=O)NCCC(C)(C)C
Canonical SMILESCACTVS3.385 C[C@H](Cc1cc2cc(ccc2nc1N)c3ncccc3C)C(=O)NCCC(C)(C)C
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C
InChIInChI1.03 InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1
InChIKeyInChI1.03 ZVOWIRUWKAUSAB-QGZVFWFLSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1821826
PubChem 53465991
ChEMBL CHEMBL1821826