1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone

C17H23FN2O2 — CID 111540753

IUPAC1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESCN1CCN(C(=O)CC2(O)CCCCC2)c2ccc(F)cc21
InChIInChI=1S/C17H23FN2O2/c1-19-9-10-20(14-6-5-13(18)11-15(14)19)16(21)12-17(22)7-3-2-4-8-17/h5-6,11,22H,2-4,7-10,12H2,1H3
InChIKeyJCYOEAZAIBZBKU-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.69
Rot. Bonds2

About 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone

1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 111540753) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
PubChem CID111540753
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESCN1CCN(C(=O)CC2(O)CCCCC2)c2ccc(F)cc21
InChIInChI=1S/C17H23FN2O2/c1-19-9-10-20(14-6-5-13(18)11-15(14)19)16(21)12-17(22)7-3-2-4-8-17/h5-6,11,22H,2-4,7-10,12H2,1H3
InChIKeyJCYOEAZAIBZBKU-UHFFFAOYSA-N
XLogP2.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone (CID 111540753) is 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone is CN1CCN(C(=O)CC2(O)CCCCC2)c2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is JCYOEAZAIBZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-19-9-10-20(14-6-5-13(18)11-15(14)19)16(21)12-17(22)7-3-2-4-8-17/h5-6,11,22H,2-4,7-10,12H2,1H3.
What are the key properties of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 306.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 111540753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).