2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione

C17H15FN2O4 — CID 141247225

IUPAC2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
SMILESCOCc1nc2ncc(F)cc2cc1C(=O)C1C(=O)CCCC1=O
InChIInChI=1S/C17H15FN2O4/c1-24-8-12-11(6-9-5-10(18)7-19-17(9)20-12)16(23)15-13(21)3-2-4-14(15)22/h5-7,15H,2-4,8H2,1H3
InChIKeyDBIXTYIXKPPLQN-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.04
Rot. Bonds4

About 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione

2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione (PubChem CID 141247225) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
PubChem CID141247225
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
SMILESCOCc1nc2ncc(F)cc2cc1C(=O)C1C(=O)CCCC1=O
InChIInChI=1S/C17H15FN2O4/c1-24-8-12-11(6-9-5-10(18)7-19-17(9)20-12)16(23)15-13(21)3-2-4-14(15)22/h5-7,15H,2-4,8H2,1H3
InChIKeyDBIXTYIXKPPLQN-UHFFFAOYSA-N
XLogP2.04
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The IUPAC name of 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione (CID 141247225) is 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione.
What is the SMILES notation for 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The canonical SMILES for 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione is COCc1nc2ncc(F)cc2cc1C(=O)C1C(=O)CCCC1=O.
What is the InChIKey of 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The InChIKey is DBIXTYIXKPPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-24-8-12-11(6-9-5-10(18)7-19-17(9)20-12)16(23)15-13(21)3-2-4-14(15)22/h5-7,15H,2-4,8H2,1H3.
What are the key properties of 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione has a molecular weight of 330.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione is sourced from PubChem (CID 141247225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).