(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C16H15FN2O2 — CID 107676708

IUPAC(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(O)cc2F)c2ccccc21
InChIInChI=1S/C16H15FN2O2/c1-18-8-9-19(15-5-3-2-4-14(15)18)16(21)12-7-6-11(20)10-13(12)17/h2-7,10,20H,8-9H2,1H3
InChIKeyUMKMYFSBLUYNIC-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.63
Rot. Bonds1

About (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 107676708) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID107676708
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(O)cc2F)c2ccccc21
InChIInChI=1S/C16H15FN2O2/c1-18-8-9-19(15-5-3-2-4-14(15)18)16(21)12-7-6-11(20)10-13(12)17/h2-7,10,20H,8-9H2,1H3
InChIKeyUMKMYFSBLUYNIC-UHFFFAOYSA-N
XLogP2.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 107676708) is (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)c2ccc(O)cc2F)c2ccccc21.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is UMKMYFSBLUYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-18-8-9-19(15-5-3-2-4-14(15)18)16(21)12-7-6-11(20)10-13(12)17/h2-7,10,20H,8-9H2,1H3.
What are the key properties of (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 286.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 107676708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).