5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C21H26N4O2 — CID 118006494

About 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006494) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 118006494
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
• SMILES: C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CN2CCC[C@H]2CO)O1
• InChI: InChI=1S/C21H26N4O2/c1-15-11-25(13-18(27-15)12-24-9-3-4-17(24)14-26)20-7-6-16(10-22)21-19(20)5-2-8-23-21/h2,5-8,15,17-18,26H,3-4,9,11-14H2,1H3/t15-,17+,18-/m1/s1
• InChIKey: WFRSQEXJGXKXPL-BPQIPLTHSA-N
• XLogP: 2.16
• TPSA: 72.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118006494) is 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

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

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

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

The InChIKey is WFRSQEXJGXKXPL-BPQIPLTHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-11-25(13-18(27-15)12-24-9-3-4-17(24)14-26)20-7-6-16(10-22)21-19(20)5-2-8-23-21/h2,5-8,15,17-18,26H,3-4,9,11-14H2,1H3/t15-,17+,18-/m1/s1.

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

5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).