quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C17H22N2O2 — CID 107357753

IUPACquinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cnc3ccccc3n2)C(C)(C)O1
InChIInChI=1S/C17H22N2O2/c1-16(2)9-11(17(3,4)21-16)15(20)14-10-18-12-7-5-6-8-13(12)19-14/h5-8,10-11,15,20H,9H2,1-4H3
InChIKeySMDGYJUIHNCTAW-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.26
Rot. Bonds2

About quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 107357753) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Namequinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID107357753
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Namequinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cnc3ccccc3n2)C(C)(C)O1
InChIInChI=1S/C17H22N2O2/c1-16(2)9-11(17(3,4)21-16)15(20)14-10-18-12-7-5-6-8-13(12)19-14/h5-8,10-11,15,20H,9H2,1-4H3
InChIKeySMDGYJUIHNCTAW-UHFFFAOYSA-N
XLogP3.26
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol
CID 260008
Quinoxaline, 2-(1,2,3,4-tetrahydroxybutyl)-, hydrate
CID 3056911
(1R,2S,3R)-1-(Quinoxalin-2-yl)butane-1,2,3,4-tetrol
CID 7128813
2,2-Dimethyl-1-quinoxalin-2-ylpropan-1-ol
CID 11298891
2-(1,2,3-Trihydroxypropyl)quinoxaline
CID 86062388
2-Tetrahydroxybutyl-quinoxaline
CID 129635153
1-Quinoxalin-2-ylcyclohexan-1-ol
CID 155933614
2-(Oxolan-2-yl)quinoxaline
CID 121008489
(1R,2S,3R)-1-(6,7-Dimethylquinoxalin-2-yl)butane-1,2,3,4-tetraol
CID 69762907
3-Methyl-1-quinoxalin-2-ylbutan-1-ol
CID 107357530
3-Phenyl-1-quinoxalin-2-ylpropan-1-ol
CID 107357546
1-Quinoxalin-2-yldecan-1-ol
CID 107357578

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 107357753) is quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2cnc3ccccc3n2)C(C)(C)O1.
What is the InChIKey of quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is SMDGYJUIHNCTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-16(2)9-11(17(3,4)21-16)15(20)14-10-18-12-7-5-6-8-13(12)19-14/h5-8,10-11,15,20H,9H2,1-4H3.
What are the key properties of quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 286.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 107357753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).