5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C24H25N3O2 — CID 118006951

IUPAC5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]([C@H](O)CCc2ccccc2)O1
InChIInChI=1S/C24H25N3O2/c1-17-15-27(21-11-10-19(14-25)24-20(21)8-5-13-26-24)16-23(29-17)22(28)12-9-18-6-3-2-4-7-18/h2-8,10-11,13,17,22-23,28H,9,12,15-16H2,1H3/t17-,22-,23-/m1/s1
InChIKeyXQBPJWGNRMEKMB-NLSFWIRASA-N
MW387.48 g/mol
LogP3.69
Rot. Bonds5

About 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006951) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006951
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]([C@H](O)CCc2ccccc2)O1
InChIInChI=1S/C24H25N3O2/c1-17-15-27(21-11-10-19(14-25)24-20(21)8-5-13-26-24)16-23(29-17)22(28)12-9-18-6-3-2-4-7-18/h2-8,10-11,13,17,22-23,28H,9,12,15-16H2,1H3/t17-,22-,23-/m1/s1
InChIKeyXQBPJWGNRMEKMB-NLSFWIRASA-N
XLogP3.69
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007097
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
5-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
(2R)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3-phenylpropanamide
CID 121411692
5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 122504677
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
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)-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-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118006951) is 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]([C@H](O)CCc2ccccc2)O1.
What is the InChIKey of 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is XQBPJWGNRMEKMB-NLSFWIRASA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-15-27(21-11-10-19(14-25)24-20(21)8-5-13-26-24)16-23(29-17)22(28)12-9-18-6-3-2-4-7-18/h2-8,10-11,13,17,22-23,28H,9,12,15-16H2,1H3/t17-,22-,23-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2-[(1R)-1-hydroxy-3-phenylpropyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).