5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile

C18H19N3O2 — CID 118006562

IUPAC5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCCC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C18H19N3O2/c1-3-16(22)17-11-21(10-12(2)23-17)15-7-6-13(9-19)18-14(15)5-4-8-20-18/h4-8,12,17H,3,10-11H2,1-2H3/t12-,17-/m1/s1
InChIKeyJYGCFFPADDOKDK-SJKOYZFVSA-N
MW309.37 g/mol
LogP2.68
Rot. Bonds3

About 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006562) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006562
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCCC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C18H19N3O2/c1-3-16(22)17-11-21(10-12(2)23-17)15-7-6-13(9-19)18-14(15)5-4-8-20-18/h4-8,12,17H,3,10-11H2,1-2H3/t12-,17-/m1/s1
InChIKeyJYGCFFPADDOKDK-SJKOYZFVSA-N
XLogP2.68
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118006562) is 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile is CCC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1.
What is the InChIKey of 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is JYGCFFPADDOKDK-SJKOYZFVSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-16(22)17-11-21(10-12(2)23-17)15-7-6-13(9-19)18-14(15)5-4-8-20-18/h4-8,12,17H,3,10-11H2,1-2H3/t12-,17-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).