5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile

C27H25N5O — CID 118006998

About 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006998) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 118006998
• Molecular Formula: C27H25N5O
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.21
• IUPAC Name: 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
• SMILES: C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNc2cccc(-c3ccccc3)n2)O1
• InChI: InChI=1S/C27H25N5O/c1-19-17-32(25-13-12-21(15-28)27-23(25)9-6-14-29-27)18-22(33-19)16-30-26-11-5-10-24(31-26)20-7-3-2-4-8-20/h2-14,19,22H,16-18H2,1H3,(H,30,31)/t19-,22+/m1/s1
• InChIKey: XOIDZEAJYFXPER-KNQAVFIVSA-N
• XLogP: 4.87
• TPSA: 74.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The IUPAC name of 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 118006998) is 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

What is the SMILES notation for 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The canonical SMILES for 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNc2cccc(-c3ccccc3)n2)O1.

What is the InChIKey of 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The InChIKey is XOIDZEAJYFXPER-KNQAVFIVSA-N. The full InChI is InChI=1S/C27H25N5O/c1-19-17-32(25-13-12-21(15-28)27-23(25)9-6-14-29-27)18-22(33-19)16-30-26-11-5-10-24(31-26)20-7-3-2-4-8-20/h2-14,19,22H,16-18H2,1H3,(H,30,31)/t19-,22+/m1/s1.

What are the key properties of 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 435.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).