1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine

C19H24FN3O3 — CID 71151201

IUPAC1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCOc1ccc2ncc(F)c(CC(OC)C34CCC(N)(CC3)CO4)c2n1
InChIInChI=1S/C19H24FN3O3/c1-24-15(19-7-5-18(21,6-8-19)11-26-19)9-12-13(20)10-22-14-3-4-16(25-2)23-17(12)14/h3-4,10,15H,5-9,11,21H2,1-2H3
InChIKeyLJOHKXGUOXINLS-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine

1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine (PubChem CID 71151201) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine.

Molecular Properties

Compound Name1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine
PubChem CID71151201
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCOc1ccc2ncc(F)c(CC(OC)C34CCC(N)(CC3)CO4)c2n1
InChIInChI=1S/C19H24FN3O3/c1-24-15(19-7-5-18(21,6-8-19)11-26-19)9-12-13(20)10-22-14-3-4-16(25-2)23-17(12)14/h3-4,10,15H,5-9,11,21H2,1-2H3
InChIKeyLJOHKXGUOXINLS-UHFFFAOYSA-N
XLogP2.38
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine (CID 71151201) is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine is COc1ccc2ncc(F)c(CC(OC)C34CCC(N)(CC3)CO4)c2n1.
What is the InChIKey of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The InChIKey is LJOHKXGUOXINLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-24-15(19-7-5-18(21,6-8-19)11-26-19)9-12-13(20)10-22-14-3-4-16(25-2)23-17(12)14/h3-4,10,15H,5-9,11,21H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine has a molecular weight of 361.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 71151201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).