5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile

C25H33N5O — CID 118007104

About 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118007104) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 118007104
• Molecular Formula: C25H33N5O
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.27
• IUPAC Name: 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
• SMILES: C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCC(N3CCCC3)CC2)O1
• InChI: InChI=1S/C25H33N5O/c1-19-16-30(24-7-6-20(15-26)25-23(24)5-4-10-27-25)18-22(31-19)17-28-13-8-21(9-14-28)29-11-2-3-12-29/h4-7,10,19,21-22H,2-3,8-9,11-14,16-18H2,1H3/t19-,22-/m1/s1
• InChIKey: MVIRVLSEMZVDHQ-DENIHFKCSA-N
• XLogP: 3.26
• TPSA: 55.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The IUPAC name of 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 118007104) is 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile.

What is the SMILES notation for 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The canonical SMILES for 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCC(N3CCCC3)CC2)O1.

What is the InChIKey of 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The InChIKey is MVIRVLSEMZVDHQ-DENIHFKCSA-N. The full InChI is InChI=1S/C25H33N5O/c1-19-16-30(24-7-6-20(15-26)25-23(24)5-4-10-27-25)18-22(31-19)17-28-13-8-21(9-14-28)29-11-2-3-12-29/h4-7,10,19,21-22H,2-3,8-9,11-14,16-18H2,1H3/t19-,22-/m1/s1.

What are the key properties of 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile?

5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 419.57 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118007104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).