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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Related Compounds

5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006951
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 122504677
5-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
CID 118007199
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(1-hydroxyhexan-2-yl)-6-methylmorpholine-2-carboxamide
CID 118006701
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420

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).