1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one

C18H15FN2O2 — CID 10018253

IUPAC1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one
SMILESCCC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H15FN2O2/c1-2-15(22)17-18(23)16-13(10-21-17)8-12(9-20-16)7-11-3-5-14(19)6-4-11/h3-6,8-10,23H,2,7H2,1H3
InChIKeyZNYSFLBINYWOOM-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.66
Rot. Bonds4

About 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one

1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one (PubChem CID 10018253) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one
PubChem CID10018253
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one
SMILESCCC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H15FN2O2/c1-2-15(22)17-18(23)16-13(10-21-17)8-12(9-20-16)7-11-3-5-14(19)6-4-11/h3-6,8-10,23H,2,7H2,1H3
InChIKeyZNYSFLBINYWOOM-UHFFFAOYSA-N
XLogP3.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one (CID 10018253) is 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one is CCC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one?
The InChIKey is ZNYSFLBINYWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-15(22)17-18(23)16-13(10-21-17)8-12(9-20-16)7-11-3-5-14(19)6-4-11/h3-6,8-10,23H,2,7H2,1H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one?
1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one has a molecular weight of 310.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one is sourced from PubChem (CID 10018253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).