8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

C18H21N5OS — CID 146329572

IUPAC8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(CSC2CNC2)O1
InChIInChI=1S/C18H21N5OS/c1-12-9-23(10-14(24-12)11-25-15-7-20-8-15)16-3-2-13(6-19)17-18(16)22-5-4-21-17/h2-5,12,14-15,20H,7-11H2,1H3
InChIKeyVCZAJALKHFWUMZ-UHFFFAOYSA-N
MW355.47 g/mol
LogP1.80
Rot. Bonds4

About 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146329572) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID146329572
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(CSC2CNC2)O1
InChIInChI=1S/C18H21N5OS/c1-12-9-23(10-14(24-12)11-25-15-7-20-8-15)16-3-2-13(6-19)17-18(16)22-5-4-21-17/h2-5,12,14-15,20H,7-11H2,1H3
InChIKeyVCZAJALKHFWUMZ-UHFFFAOYSA-N
XLogP1.80
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

bis(8-[(2R,6R)-2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile);tert-butyl 3-[[(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methylsulfanyl]azetidine-1-carboxylate;tert-butyl 3-sulfanylazetidine-1-carboxylate;8-[(2R,6R)-2-(iodomethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile;methanol
CID 158321057
8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329690
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223
8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329141
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
CID 158196372
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
CID 146442950
8-[2-methyl-6-[[4-[(6S)-6-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
CID 146276005
8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
CID 146275941
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 159569353

Frequently Asked Questions

What is the IUPAC name of 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (CID 146329572) is 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is CC1CN(c2ccc(C#N)c3nccnc23)CC(CSC2CNC2)O1.
What is the InChIKey of 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is VCZAJALKHFWUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-9-23(10-14(24-12)11-25-15-7-20-8-15)16-3-2-13(6-19)17-18(16)22-5-4-21-17/h2-5,12,14-15,20H,7-11H2,1H3.
What are the key properties of 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 355.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 146329572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).