3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide

C20H17FN4O3 — CID 119081295

IUPAC3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide
SMILESO=C1CC(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)CCN1
InChIInChI=1S/C20H17FN4O3/c21-12-5-7-14(8-6-12)28-20-18(24-15-3-1-2-4-16(15)25-20)19(27)23-13-9-10-22-17(26)11-13/h1-8,13H,9-11H2,(H,22,26)(H,23,27)
InChIKeyDXCRAXUISVWUHR-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide

3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide (PubChem CID 119081295) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide
PubChem CID119081295
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide
SMILESO=C1CC(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)CCN1
InChIInChI=1S/C20H17FN4O3/c21-12-5-7-14(8-6-12)28-20-18(24-15-3-1-2-4-16(15)25-20)19(27)23-13-9-10-22-17(26)11-13/h1-8,13H,9-11H2,(H,22,26)(H,23,27)
InChIKeyDXCRAXUISVWUHR-UHFFFAOYSA-N
XLogP2.57
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide (CID 119081295) is 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide is O=C1CC(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)CCN1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide?
The InChIKey is DXCRAXUISVWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-12-5-7-14(8-6-12)28-20-18(24-15-3-1-2-4-16(15)25-20)19(27)23-13-9-10-22-17(26)11-13/h1-8,13H,9-11H2,(H,22,26)(H,23,27).
What are the key properties of 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide?
3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 119081295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).