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

C27H25N5O — CID 118006998

IUPAC5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNc2cccc(-c3ccccc3)n2)O1
InChIInChI=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
InChIKeyXOIDZEAJYFXPER-KNQAVFIVSA-N
MW435.53 g/mol
LogP4.87
Rot. Bonds5

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 Name5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006998
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNc2cccc(-c3ccccc3)n2)O1
InChIInChI=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
InChIKeyXOIDZEAJYFXPER-KNQAVFIVSA-N
XLogP4.87
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).