5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C18H21N3O2 — CID 118007097

IUPAC5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCCC(O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C18H21N3O2/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/h4-8,12,16-17,22H,3,10-11H2,1-2H3/t12-,16?,17-/m1/s1
InChIKeyICVOYQUVVKQYGL-SCWIMFDPSA-N
MW311.38 g/mol
LogP2.47
Rot. Bonds3

About 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118007097) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118007097
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCCC(O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C18H21N3O2/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/h4-8,12,16-17,22H,3,10-11H2,1-2H3/t12-,16?,17-/m1/s1
InChIKeyICVOYQUVVKQYGL-SCWIMFDPSA-N
XLogP2.47
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118007097) is 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-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-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is ICVOYQUVVKQYGL-SCWIMFDPSA-N. The full InChI is InChI=1S/C18H21N3O2/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/h4-8,12,16-17,22H,3,10-11H2,1-2H3/t12-,16?,17-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 311.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118007097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).