ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile

C16H20N4O2 — CID 153398932

IUPACethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCC.N#Cc1ccc(N2CCOC(CO)C2)c2nccnc12
InChIInChI=1S/C14H14N4O2.C2H6/c15-7-10-1-2-12(14-13(10)16-3-4-17-14)18-5-6-20-11(8-18)9-19;1-2/h1-4,11,19H,5-6,8-9H2;1-2H3
InChIKeyKKNIUMUUAOYHJP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.73
Rot. Bonds2

About ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile

ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 153398932) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Nameethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID153398932
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
SMILESCC.N#Cc1ccc(N2CCOC(CO)C2)c2nccnc12
InChIInChI=1S/C14H14N4O2.C2H6/c15-7-10-1-2-12(14-13(10)16-3-4-17-14)18-5-6-20-11(8-18)9-19;1-2/h1-4,11,19H,5-6,8-9H2;1-2H3
InChIKeyKKNIUMUUAOYHJP-UHFFFAOYSA-N
XLogP1.73
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 107934019
5-bromo-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 97350200
3-[2-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 104720129
4-amino-3-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 104712170
8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329690
3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 165124329
8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride
CID 129240614
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973

Frequently Asked Questions

What is the IUPAC name of ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile (CID 153398932) is ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile is CC.N#Cc1ccc(N2CCOC(CO)C2)c2nccnc12.
What is the InChIKey of ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is KKNIUMUUAOYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2.C2H6/c15-7-10-1-2-12(14-13(10)16-3-4-17-14)18-5-6-20-11(8-18)9-19;1-2/h1-4,11,19H,5-6,8-9H2;1-2H3.
What are the key properties of ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 153398932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).