2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol

C15H19N3O2 — CID 106100262

IUPAC2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-11-15(19,6-7-20-11)10-16-8-12-9-17-13-4-2-3-5-14(13)18-12/h2-5,9,11,16,19H,6-8,10H2,1H3
InChIKeyYEATWFUWJJGGBA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol

2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol (PubChem CID 106100262) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
PubChem CID106100262
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-11-15(19,6-7-20-11)10-16-8-12-9-17-13-4-2-3-5-14(13)18-12/h2-5,9,11,16,19H,6-8,10H2,1H3
InChIKeyYEATWFUWJJGGBA-UHFFFAOYSA-N
XLogP1.26
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65118041
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
CID 63821652
3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099717
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
2-methyl-3-(quinolin-2-ylmethyl)oxolan-3-ol
CID 82718660
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol (CID 106100262) is 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol is CC1OCCC1(O)CNCc1cnc2ccccc2n1.
What is the InChIKey of 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol?
The InChIKey is YEATWFUWJJGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-15(19,6-7-20-11)10-16-8-12-9-17-13-4-2-3-5-14(13)18-12/h2-5,9,11,16,19H,6-8,10H2,1H3.
What are the key properties of 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol?
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol has a molecular weight of 273.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).