2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide

C28H26F2N4O — CID 20887336

IUPAC2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H26F2N4O/c29-22-9-4-19(5-10-22)26-27(20-6-11-23(30)12-7-20)33-25-18-21(8-13-24(25)32-26)28(35)31-14-17-34-15-2-1-3-16-34/h4-13,18H,1-3,14-17H2,(H,31,35)
InChIKeyITNLGXRMYGOORS-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.46
Rot. Bonds6

About 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide

2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide (PubChem CID 20887336) has the molecular formula C28H26F2N4O and a molecular weight of 472.54 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide
PubChem CID20887336
Molecular FormulaC28H26F2N4O
Molecular Weight472.54 g/mol
Exact Mass472.21
IUPAC Name2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H26F2N4O/c29-22-9-4-19(5-10-22)26-27(20-6-11-23(30)12-7-20)33-25-18-21(8-13-24(25)32-26)28(35)31-14-17-34-15-2-1-3-16-34/h4-13,18H,1-3,14-17H2,(H,31,35)
InChIKeyITNLGXRMYGOORS-UHFFFAOYSA-N
XLogP5.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide (CID 20887336) is 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide is O=C(NCCN1CCCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide?
The InChIKey is ITNLGXRMYGOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O/c29-22-9-4-19(5-10-22)26-27(20-6-11-23(30)12-7-20)33-25-18-21(8-13-24(25)32-26)28(35)31-14-17-34-15-2-1-3-16-34/h4-13,18H,1-3,14-17H2,(H,31,35).
What are the key properties of 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide?
2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 20887336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).