1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one

C16H20FN3O4 — CID 66734328

IUPAC1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2cc(F)c(=O)n(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H20FN3O4/c1-23-14-5-2-9-6-11(17)16(22)20(15(9)19-14)7-12(21)13-4-3-10(18)8-24-13/h2,5-6,10,12-13,21H,3-4,7-8,18H2,1H3/t10-,12+,13+/m1/s1
InChIKeyIKHRAXSXXIKMRY-WXHSDQCUSA-N
MW337.35 g/mol
LogP0.41
Rot. Bonds4

About 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one

1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one (PubChem CID 66734328) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one
PubChem CID66734328
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2cc(F)c(=O)n(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C16H20FN3O4/c1-23-14-5-2-9-6-11(17)16(22)20(15(9)19-14)7-12(21)13-4-3-10(18)8-24-13/h2,5-6,10,12-13,21H,3-4,7-8,18H2,1H3/t10-,12+,13+/m1/s1
InChIKeyIKHRAXSXXIKMRY-WXHSDQCUSA-N
XLogP0.41
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one (CID 66734328) is 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one is COc1ccc2cc(F)c(=O)n(C[C@H](O)[C@@H]3CC[C@@H](N)CO3)c2n1.
What is the InChIKey of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one?
The InChIKey is IKHRAXSXXIKMRY-WXHSDQCUSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-23-14-5-2-9-6-11(17)16(22)20(15(9)19-14)7-12(21)13-4-3-10(18)8-24-13/h2,5-6,10,12-13,21H,3-4,7-8,18H2,1H3/t10-,12+,13+/m1/s1.
What are the key properties of 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one?
1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one has a molecular weight of 337.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S,5R)-5-aminooxan-2-yl]-2-hydroxyethyl]-3-fluoro-7-methoxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 66734328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).