5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one

C18H17FN2O2 — CID 14850557

IUPAC5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C18H17FN2O2/c1-10(2)17-14(9-22)16(11-3-5-12(19)6-4-11)13-7-8-15(23)20-18(13)21-17/h3-8,10,22H,9H2,1-2H3,(H,20,21,23)
InChIKeyQHGJZFKJLCOAFL-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.34
Rot. Bonds3

About 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one

5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one (PubChem CID 14850557) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one
PubChem CID14850557
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C18H17FN2O2/c1-10(2)17-14(9-22)16(11-3-5-12(19)6-4-11)13-7-8-15(23)20-18(13)21-17/h3-8,10,22H,9H2,1-2H3,(H,20,21,23)
InChIKeyQHGJZFKJLCOAFL-UHFFFAOYSA-N
XLogP3.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one (CID 14850557) is 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one is CC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is QHGJZFKJLCOAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-10(2)17-14(9-22)16(11-3-5-12(19)6-4-11)13-7-8-15(23)20-18(13)21-17/h3-8,10,22H,9H2,1-2H3,(H,20,21,23).
What are the key properties of 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one?
5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 312.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 14850557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).