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

C23H30N4O — CID 118007354

IUPAC5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESCC1CCCCC1NC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C23H30N4O/c1-16-6-3-4-8-21(16)26-13-19-15-27(14-17(2)28-19)22-10-9-18(12-24)23-20(22)7-5-11-25-23/h5,7,9-11,16-17,19,21,26H,3-4,6,8,13-15H2,1-2H3/t16?,17-,19+,21?/m1/s1
InChIKeyPRUOZLJETAOXSY-DDUYZKFLSA-N
MW378.52 g/mol
LogP3.87
Rot. Bonds4

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

5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118007354) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118007354
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESCC1CCCCC1NC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C23H30N4O/c1-16-6-3-4-8-21(16)26-13-19-15-27(14-17(2)28-19)22-10-9-18(12-24)23-20(22)7-5-11-25-23/h5,7,9-11,16-17,19,21,26H,3-4,6,8,13-15H2,1-2H3/t16?,17-,19+,21?/m1/s1
InChIKeyPRUOZLJETAOXSY-DDUYZKFLSA-N
XLogP3.87
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006574
5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
5-[(2S,6R)-2-[(4-cyclohexylpiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007161
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-[(2R,6R)-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007232
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006998
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-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007104
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 118007354) is 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is CC1CCCCC1NC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1.
What is the InChIKey of 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is PRUOZLJETAOXSY-DDUYZKFLSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-6-3-4-8-21(16)26-13-19-15-27(14-17(2)28-19)22-10-9-18(12-24)23-20(22)7-5-11-25-23/h5,7,9-11,16-17,19,21,26H,3-4,6,8,13-15H2,1-2H3/t16?,17-,19+,21?/m1/s1.
What are the key properties of 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 378.52 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118007354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).