5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile

C22H23N5O — CID 118006692

IUPAC5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESCc1cccnc1NC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C22H23N5O/c1-15-5-3-10-25-22(15)26-12-18-14-27(13-16(2)28-18)20-8-7-17(11-23)21-19(20)6-4-9-24-21/h3-10,16,18H,12-14H2,1-2H3,(H,25,26)/t16-,18+/m1/s1
InChIKeyYGNGJDFKSCWCKM-AEFFLSMTSA-N
MW373.46 g/mol
LogP3.52
Rot. Bonds4

About 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006692) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006692
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESCc1cccnc1NC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C22H23N5O/c1-15-5-3-10-25-22(15)26-12-18-14-27(13-16(2)28-18)20-8-7-17(11-23)21-19(20)6-4-9-24-21/h3-10,16,18H,12-14H2,1-2H3,(H,25,26)/t16-,18+/m1/s1
InChIKeyYGNGJDFKSCWCKM-AEFFLSMTSA-N
XLogP3.52
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 118006692) is 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is Cc1cccnc1NC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1.
What is the InChIKey of 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is YGNGJDFKSCWCKM-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-5-3-10-25-22(15)26-12-18-14-27(13-16(2)28-18)20-8-7-17(11-23)21-19(20)6-4-9-24-21/h3-10,16,18H,12-14H2,1-2H3,(H,25,26)/t16-,18+/m1/s1.
What are the key properties of 5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 3.52, 4 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-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).