2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione

C16H17FN2O3 — CID 54708523

IUPAC2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione
SMILESCN1CC2CCN(Cc3ccc(F)cc3)C(=O)C2=C(O)C1=O
InChIInChI=1S/C16H17FN2O3/c1-18-9-11-6-7-19(8-10-2-4-12(17)5-3-10)15(21)13(11)14(20)16(18)22/h2-5,11,20H,6-9H2,1H3
InChIKeyJYVUAGGRMUESPL-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.46
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione

2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione (PubChem CID 54708523) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione
PubChem CID54708523
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione
SMILESCN1CC2CCN(Cc3ccc(F)cc3)C(=O)C2=C(O)C1=O
InChIInChI=1S/C16H17FN2O3/c1-18-9-11-6-7-19(8-10-2-4-12(17)5-3-10)15(21)13(11)14(20)16(18)22/h2-5,11,20H,6-9H2,1H3
InChIKeyJYVUAGGRMUESPL-UHFFFAOYSA-N
XLogP1.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione (CID 54708523) is 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione is CN1CC2CCN(Cc3ccc(F)cc3)C(=O)C2=C(O)C1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione?
The InChIKey is JYVUAGGRMUESPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-18-9-11-6-7-19(8-10-2-4-12(17)5-3-10)15(21)13(11)14(20)16(18)22/h2-5,11,20H,6-9H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione?
2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione has a molecular weight of 304.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-8-hydroxy-6-methyl-3,4,4a,5-tetrahydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 54708523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).