5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C22H28N4O2 — CID 118006574

IUPAC5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNC2CCC(O)CC2)O1
InChIInChI=1S/C22H28N4O2/c1-15-13-26(14-19(28-15)12-25-17-5-7-18(27)8-6-17)21-9-4-16(11-23)22-20(21)3-2-10-24-22/h2-4,9-10,15,17-19,25,27H,5-8,12-14H2,1H3/t15-,17?,18?,19-/m1/s1
InChIKeyYSJCATFPRFTMTA-JYPHPWERSA-N
MW380.49 g/mol
LogP2.59
Rot. Bonds4

About 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006574) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006574
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNC2CCC(O)CC2)O1
InChIInChI=1S/C22H28N4O2/c1-15-13-26(14-19(28-15)12-25-17-5-7-18(27)8-6-17)21-9-4-16(11-23)22-20(21)3-2-10-24-22/h2-4,9-10,15,17-19,25,27H,5-8,12-14H2,1H3/t15-,17?,18?,19-/m1/s1
InChIKeyYSJCATFPRFTMTA-JYPHPWERSA-N
XLogP2.59
TPSA81.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Related Compounds

5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007354
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
5-[(2S,6R)-2-[[[(3S)-1-(2-amino-4-pyridinyl)piperidin-3-yl]amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 146276300
5-[(2S,6R)-2-[[3-[(3S)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006881
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[(2R,6R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007077
5-[(2R,6R)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006494
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118006574) is 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CNC2CCC(O)CC2)O1.
What is the InChIKey of 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is YSJCATFPRFTMTA-JYPHPWERSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-13-26(14-19(28-15)12-25-17-5-7-18(27)8-6-17)21-9-4-16(11-23)22-20(21)3-2-10-24-22/h2-4,9-10,15,17-19,25,27H,5-8,12-14H2,1H3/t15-,17?,18?,19-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 380.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).