3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one

C10H7F3N2O2 — CID 123788014

IUPAC3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2nc1CO
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-1-2-6-7(3-5)14-8(4-16)9(17)15-6/h1-3,16H,4H2,(H,15,17)
InChIKeyXAMIEKTYJPWIDA-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.43
Rot. Bonds1

About 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one

3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one (PubChem CID 123788014) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
PubChem CID123788014
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2nc1CO
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-1-2-6-7(3-5)14-8(4-16)9(17)15-6/h1-3,16H,4H2,(H,15,17)
InChIKeyXAMIEKTYJPWIDA-UHFFFAOYSA-N
XLogP1.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 10062508
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3323158
N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide
CID 67909877
3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 59995568
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72895193
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
2-(2,2-dimethylpropyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 137233002
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
CID 58442705

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one (CID 123788014) is 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2nc1CO.
What is the InChIKey of 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
The InChIKey is XAMIEKTYJPWIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)5-1-2-6-7(3-5)14-8(4-16)9(17)15-6/h1-3,16H,4H2,(H,15,17).
What are the key properties of 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one has a molecular weight of 244.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 123788014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).