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

C27H25N5O — CID 118007158

IUPAC5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNc2ccnc(-c3ccccc3)c2)O1
InChIInChI=1S/C27H25N5O/c1-19-17-32(26-10-9-21(15-28)27-24(26)8-5-12-30-27)18-23(33-19)16-31-22-11-13-29-25(14-22)20-6-3-2-4-7-20/h2-14,19,23H,16-18H2,1H3,(H,29,31)/t19-,23-/m1/s1
InChIKeyNAZSXUVVOCRTPN-AUSIDOKSSA-N
MW435.53 g/mol
LogP4.87
Rot. Bonds5

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

5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118007158) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118007158
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNc2ccnc(-c3ccccc3)c2)O1
InChIInChI=1S/C27H25N5O/c1-19-17-32(26-10-9-21(15-28)27-24(26)8-5-12-30-27)18-23(33-19)16-31-22-11-13-29-25(14-22)20-6-3-2-4-7-20/h2-14,19,23H,16-18H2,1H3,(H,29,31)/t19-,23-/m1/s1
InChIKeyNAZSXUVVOCRTPN-AUSIDOKSSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 118007158) is 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNc2ccnc(-c3ccccc3)c2)O1.
What is the InChIKey of 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is NAZSXUVVOCRTPN-AUSIDOKSSA-N. The full InChI is InChI=1S/C27H25N5O/c1-19-17-32(26-10-9-21(15-28)27-24(26)8-5-12-30-27)18-23(33-19)16-31-22-11-13-29-25(14-22)20-6-3-2-4-7-20/h2-14,19,23H,16-18H2,1H3,(H,29,31)/t19-,23-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-methyl-6-[[(2-phenyl-4-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,6R)-2-methyl-6-[[(2-phenyl-4-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118007158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).