1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one

C18H17FN2O2 — CID 19817638

IUPAC1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)c1nc2c(ccc(=O)n2-c2ccc(F)cc2)cc1CO
InChIInChI=1S/C18H17FN2O2/c1-11(2)17-13(10-22)9-12-3-8-16(23)21(18(12)20-17)15-6-4-14(19)5-7-15/h3-9,11,22H,10H2,1-2H3
InChIKeyBJVQRGYRBHIVJS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one

1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one (PubChem CID 19817638) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one
PubChem CID19817638
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)c1nc2c(ccc(=O)n2-c2ccc(F)cc2)cc1CO
InChIInChI=1S/C18H17FN2O2/c1-11(2)17-13(10-22)9-12-3-8-16(23)21(18(12)20-17)15-6-4-14(19)5-7-15/h3-9,11,22H,10H2,1-2H3
InChIKeyBJVQRGYRBHIVJS-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one (CID 19817638) is 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one is CC(C)c1nc2c(ccc(=O)n2-c2ccc(F)cc2)cc1CO.
What is the InChIKey of 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one?
The InChIKey is BJVQRGYRBHIVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11(2)17-13(10-22)9-12-3-8-16(23)21(18(12)20-17)15-6-4-14(19)5-7-15/h3-9,11,22H,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one?
1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one has a molecular weight of 312.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 19817638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).