1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione

C17H23FN2O3 — CID 58456603

IUPAC1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione
SMILESCCCCn1c(CCCCCF)cc(=O)c2c1CC(=O)NC2=O
InChIInChI=1S/C17H23FN2O3/c1-2-3-9-20-12(7-5-4-6-8-18)10-14(21)16-13(20)11-15(22)19-17(16)23/h10H,2-9,11H2,1H3,(H,19,22,23)
InChIKeyPSVIQHVWWQJGRG-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.14
Rot. Bonds8

About 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione

1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione (PubChem CID 58456603) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione.

Molecular Properties

Compound Name1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione
PubChem CID58456603
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione
SMILESCCCCn1c(CCCCCF)cc(=O)c2c1CC(=O)NC2=O
InChIInChI=1S/C17H23FN2O3/c1-2-3-9-20-12(7-5-4-6-8-18)10-14(21)16-13(20)11-15(22)19-17(16)23/h10H,2-9,11H2,1H3,(H,19,22,23)
InChIKeyPSVIQHVWWQJGRG-UHFFFAOYSA-N
XLogP2.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione?
The IUPAC name of 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione (CID 58456603) is 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione.
What is the SMILES notation for 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione?
The canonical SMILES for 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione is CCCCn1c(CCCCCF)cc(=O)c2c1CC(=O)NC2=O.
What is the InChIKey of 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione?
The InChIKey is PSVIQHVWWQJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-3-9-20-12(7-5-4-6-8-18)10-14(21)16-13(20)11-15(22)19-17(16)23/h10H,2-9,11H2,1H3,(H,19,22,23).
What are the key properties of 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione?
1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione has a molecular weight of 322.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(5-fluoropentyl)-8H-1,6-naphthyridine-4,5,7-trione is sourced from PubChem (CID 58456603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).