1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione

C23H24FN4O3P — CID 170418340

IUPAC1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(c3ncc(C4=CCOC4)cc3P)CC2)c2ccc(F)cc21
InChIInChI=1S/C23H24FN4O3P/c1-26-19-11-16(24)2-3-18(19)28(23(30)22(26)29)17-4-7-27(8-5-17)21-20(32)10-15(12-25-21)14-6-9-31-13-14/h2-3,6,10-12,17H,4-5,7-9,13,32H2,1H3
InChIKeyVJRZOIRPGLFXMO-UHFFFAOYSA-N
MW454.44 g/mol
LogP1.99
Rot. Bonds3

About 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione

1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione (PubChem CID 170418340) has the molecular formula C23H24FN4O3P and a molecular weight of 454.44 g/mol. Its IUPAC name is 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione
PubChem CID170418340
Molecular FormulaC23H24FN4O3P
Molecular Weight454.44 g/mol
Exact Mass454.16
IUPAC Name1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(c3ncc(C4=CCOC4)cc3P)CC2)c2ccc(F)cc21
InChIInChI=1S/C23H24FN4O3P/c1-26-19-11-16(24)2-3-18(19)28(23(30)22(26)29)17-4-7-27(8-5-17)21-20(32)10-15(12-25-21)14-6-9-31-13-14/h2-3,6,10-12,17H,4-5,7-9,13,32H2,1H3
InChIKeyVJRZOIRPGLFXMO-UHFFFAOYSA-N
XLogP1.99
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione?
The IUPAC name of 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione (CID 170418340) is 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione.
What is the SMILES notation for 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione?
The canonical SMILES for 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione is Cn1c(=O)c(=O)n(C2CCN(c3ncc(C4=CCOC4)cc3P)CC2)c2ccc(F)cc21.
What is the InChIKey of 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione?
The InChIKey is VJRZOIRPGLFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN4O3P/c1-26-19-11-16(24)2-3-18(19)28(23(30)22(26)29)17-4-7-27(8-5-17)21-20(32)10-15(12-25-21)14-6-9-31-13-14/h2-3,6,10-12,17H,4-5,7-9,13,32H2,1H3.
What are the key properties of 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione?
1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione has a molecular weight of 454.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2,5-dihydrofuran-3-yl)-3-phosphanyl-2-pyridinyl]piperidin-4-yl]-6-fluoro-4-methylquinoxaline-2,3-dione is sourced from PubChem (CID 170418340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).