(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol

C12H13FN2O4 — CID 67350581

IUPAC(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol
SMILESCOc1nc2ccc(F)c([C@H](O)CO)c2nc1OC
InChIInChI=1S/C12H13FN2O4/c1-18-11-12(19-2)15-10-7(14-11)4-3-6(13)9(10)8(17)5-16/h3-4,8,16-17H,5H2,1-2H3/t8-/m1/s1
InChIKeyVWMKEQBFSZVCHT-MRVPVSSYSA-N
MW268.24 g/mol
LogP0.81
Rot. Bonds4

About (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol

(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol (PubChem CID 67350581) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol
PubChem CID67350581
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol
SMILESCOc1nc2ccc(F)c([C@H](O)CO)c2nc1OC
InChIInChI=1S/C12H13FN2O4/c1-18-11-12(19-2)15-10-7(14-11)4-3-6(13)9(10)8(17)5-16/h3-4,8,16-17H,5H2,1-2H3/t8-/m1/s1
InChIKeyVWMKEQBFSZVCHT-MRVPVSSYSA-N
XLogP0.81
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol (CID 67350581) is (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol is COc1nc2ccc(F)c([C@H](O)CO)c2nc1OC.
What is the InChIKey of (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol?
The InChIKey is VWMKEQBFSZVCHT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-18-11-12(19-2)15-10-7(14-11)4-3-6(13)9(10)8(17)5-16/h3-4,8,16-17H,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol?
(1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol has a molecular weight of 268.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-fluoro-2,3-dimethoxyquinoxalin-5-yl)ethane-1,2-diol is sourced from PubChem (CID 67350581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).