1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol

C11H14N2O3 — CID 174661433

IUPAC1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol
SMILESCC1=C(C(C)O)N(O)c2ccccc2N1O
InChIInChI=1S/C11H14N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6,8,14-16H,1-2H3
InChIKeyXPZWUSWVXIZLID-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.70
Rot. Bonds1

About 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol

1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol (PubChem CID 174661433) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol
PubChem CID174661433
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol
SMILESCC1=C(C(C)O)N(O)c2ccccc2N1O
InChIInChI=1S/C11H14N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6,8,14-16H,1-2H3
InChIKeyXPZWUSWVXIZLID-UHFFFAOYSA-N
XLogP1.70
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol?
The IUPAC name of 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol (CID 174661433) is 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol.
What is the SMILES notation for 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol?
The canonical SMILES for 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol is CC1=C(C(C)O)N(O)c2ccccc2N1O.
What is the InChIKey of 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol?
The InChIKey is XPZWUSWVXIZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6,8,14-16H,1-2H3.
What are the key properties of 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol?
1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol has a molecular weight of 222.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydroxy-3-methylquinoxalin-2-yl)ethanol is sourced from PubChem (CID 174661433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).