N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide

C17H14FN3O2 — CID 74245074

IUPACN-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1cccc2nccnc12
InChIInChI=1S/C17H14FN3O2/c18-12-6-4-11(5-7-12)15(10-22)21-17(23)13-2-1-3-14-16(13)20-9-8-19-14/h1-9,15,22H,10H2,(H,21,23)
InChIKeyXFPJAXVOEBLHLC-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide

N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide (PubChem CID 74245074) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide
PubChem CID74245074
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1cccc2nccnc12
InChIInChI=1S/C17H14FN3O2/c18-12-6-4-11(5-7-12)15(10-22)21-17(23)13-2-1-3-14-16(13)20-9-8-19-14/h1-9,15,22H,10H2,(H,21,23)
InChIKeyXFPJAXVOEBLHLC-UHFFFAOYSA-N
XLogP2.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
8-[(2,6-difluorophenyl)methoxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoline-4-carboxamide
CID 130318469
5-[2-[[2-fluoro-1-(4-fluorophenyl)ethyl]carbamoyl]-5-iodo-N-sulfinoanilino]quinoxaline
CID 67199927
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
CID 176916401
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171675087

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide (CID 74245074) is N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide is O=C(NC(CO)c1ccc(F)cc1)c1cccc2nccnc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide?
The InChIKey is XFPJAXVOEBLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-12-6-4-11(5-7-12)15(10-22)21-17(23)13-2-1-3-14-16(13)20-9-8-19-14/h1-9,15,22H,10H2,(H,21,23).
What are the key properties of N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide?
N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-hydroxyethyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 74245074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).