5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile

C24H32N6O — CID 122504677

About 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 122504677) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 122504677
• Molecular Formula: C24H32N6O
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.26
• IUPAC Name: 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile
• SMILES: CC([C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1)N1CC(N2CCNCC2)C1
• InChI: InChI=1S/C24H32N6O/c1-17-13-30(22-6-5-19(12-25)24-21(22)4-3-7-27-24)16-23(31-17)18(2)29-14-20(15-29)28-10-8-26-9-11-28/h3-7,17-18,20,23,26H,8-11,13-16H2,1-2H3/t17-,18?,23+/m1/s1
• InChIKey: AFAXYZABSWRMCX-GZGBFMKVSA-N
• XLogP: 1.68
• TPSA: 67.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile?

The IUPAC name of 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 122504677) is 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile.

What is the SMILES notation for 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile?

The canonical SMILES for 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile is CC([C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1)N1CC(N2CCNCC2)C1.

What is the InChIKey of 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile?

The InChIKey is AFAXYZABSWRMCX-GZGBFMKVSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17-13-30(22-6-5-19(12-25)24-21(22)4-3-7-27-24)16-23(31-17)18(2)29-14-20(15-29)28-10-8-26-9-11-28/h3-7,17-18,20,23,26H,8-11,13-16H2,1-2H3/t17-,18?,23+/m1/s1.

What are the key properties of 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile?

5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 420.56 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,6S)-2-methyl-6-[1-(3-piperazin-1-ylazetidin-1-yl)ethyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 122504677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).