3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide

C26H27FN6O2 — CID 118463764

IUPAC3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide
SMILESCn1cncc1CCNC(=O)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H27FN6O2/c1-32-16-28-15-20(32)8-11-29-26(35)18-4-7-22-23(14-18)30-24(17-2-5-19(27)6-3-17)25(31-22)33-12-9-21(34)10-13-33/h2-7,14-16,21,34H,8-13H2,1H3,(H,29,35)
InChIKeySIYIQMPFTARXAB-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.10
Rot. Bonds6

About 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide

3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 118463764) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID118463764
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide
SMILESCn1cncc1CCNC(=O)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H27FN6O2/c1-32-16-28-15-20(32)8-11-29-26(35)18-4-7-22-23(14-18)30-24(17-2-5-19(27)6-3-17)25(31-22)33-12-9-21(34)10-13-33/h2-7,14-16,21,34H,8-13H2,1H3,(H,29,35)
InChIKeySIYIQMPFTARXAB-UHFFFAOYSA-N
XLogP3.10
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide (CID 118463764) is 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide is Cn1cncc1CCNC(=O)c1ccc2nc(N3CCC(O)CC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is SIYIQMPFTARXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-32-16-28-15-20(32)8-11-29-26(35)18-4-7-22-23(14-18)30-24(17-2-5-19(27)6-3-17)25(31-22)33-12-9-21(34)10-13-33/h2-7,14-16,21,34H,8-13H2,1H3,(H,29,35).
What are the key properties of 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide?
3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-N-[2-(3-methylimidazol-4-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).