6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile

C80H97N15O5Si2 — CID 161071792

IUPAC6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile
SMILESC[C@H](C=O)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO)Nc1ccc2c(C#N)nccc2c1.C[C@H](CO[Si](C)(C)C(C)(C)C)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO[Si](C)(C)C(C)(C)C)Nc1ccc2c(C#N)nccc2c1
InChIInChI=1S/C20H29N3OSi.C19H27N3OSi.C14H15N3O.C14H13N3O.C13H13N3O/c1-15(14-24-25(6,7)20(2,3)4)23(5)17-8-9-18-16(12-17)10-11-22-19(18)13-21;1-14(13-23-24(5,6)19(2,3)4)22-16-7-8-17-15(11-16)9-10-21-18(17)12-20;2*1-10(9-18)17(2)12-3-4-13-11(7-12)5-6-16-14(13)8-15;1-9(8-17)16-11-2-3-12-10(6-11)4-5-15-13(12)7-14/h8-12,15H,14H2,1-7H3;7-11,14,22H,13H2,1-6H3;3-7,10,18H,9H2,1-2H3;3-7,9-10H,1-2H3;2-6,9,16-17H,8H2,1H3/t15-;14-;2*10-;9-/m11111/s1
InChIKeyUETHFXQFPTYJGG-XDLVOOJKSA-N
MW1404.93 g/mol
LogP15.83
Rot. Bonds19

About 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile

6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile (PubChem CID 161071792) has the molecular formula C80H97N15O5Si2 and a molecular weight of 1404.93 g/mol. Its IUPAC name is 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile
PubChem CID161071792
Molecular FormulaC80H97N15O5Si2
Molecular Weight1404.93 g/mol
Exact Mass1403.73
IUPAC Name6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile
SMILESC[C@H](C=O)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO)Nc1ccc2c(C#N)nccc2c1.C[C@H](CO[Si](C)(C)C(C)(C)C)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO[Si](C)(C)C(C)(C)C)Nc1ccc2c(C#N)nccc2c1
InChIInChI=1S/C20H29N3OSi.C19H27N3OSi.C14H15N3O.C14H13N3O.C13H13N3O/c1-15(14-24-25(6,7)20(2,3)4)23(5)17-8-9-18-16(12-17)10-11-22-19(18)13-21;1-14(13-23-24(5,6)19(2,3)4)22-16-7-8-17-15(11-16)9-10-21-18(17)12-20;2*1-10(9-18)17(2)12-3-4-13-11(7-12)5-6-16-14(13)8-15;1-9(8-17)16-11-2-3-12-10(6-11)4-5-15-13(12)7-14/h8-12,15H,14H2,1-7H3;7-11,14,22H,13H2,1-6H3;3-7,10,18H,9H2,1-2H3;3-7,9-10H,1-2H3;2-6,9,16-17H,8H2,1H3/t15-;14-;2*10-;9-/m11111/s1
InChIKeyUETHFXQFPTYJGG-XDLVOOJKSA-N
XLogP15.83
TPSA293.17 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001404.93
LogP ≤ 515.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile?
The IUPAC name of 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile (CID 161071792) is 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile.
What is the SMILES notation for 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile?
The canonical SMILES for 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile is C[C@H](C=O)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO)Nc1ccc2c(C#N)nccc2c1.C[C@H](CO[Si](C)(C)C(C)(C)C)N(C)c1ccc2c(C#N)nccc2c1.C[C@H](CO[Si](C)(C)C(C)(C)C)Nc1ccc2c(C#N)nccc2c1.
What is the InChIKey of 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile?
The InChIKey is UETHFXQFPTYJGG-XDLVOOJKSA-N. The full InChI is InChI=1S/C20H29N3OSi.C19H27N3OSi.C14H15N3O.C14H13N3O.C13H13N3O/c1-15(14-24-25(6,7)20(2,3)4)23(5)17-8-9-18-16(12-17)10-11-22-19(18)13-21;1-14(13-23-24(5,6)19(2,3)4)22-16-7-8-17-15(11-16)9-10-21-18(17)12-20;2*1-10(9-18)17(2)12-3-4-13-11(7-12)5-6-16-14(13)8-15;1-9(8-17)16-11-2-3-12-10(6-11)4-5-15-13(12)7-14/h8-12,15H,14H2,1-7H3;7-11,14,22H,13H2,1-6H3;3-7,10,18H,9H2,1-2H3;3-7,9-10H,1-2H3;2-6,9,16-17H,8H2,1H3/t15-;14-;2*10-;9-/m11111/s1.
What are the key properties of 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile?
6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile has a molecular weight of 1404.93 g/mol, XLogP of 15.83, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]amino]isoquinoline-1-carbonitrile;6-[[(2R)-1-hydroxypropan-2-yl]-methylamino]isoquinoline-1-carbonitrile;6-[methyl-[(2R)-1-oxopropan-2-yl]amino]isoquinoline-1-carbonitrile is sourced from PubChem (CID 161071792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).