2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one

C18H17FN2O — CID 163211165

IUPAC2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one
SMILESCc1ccccc1-n1cc(C(C)C)c2nc(F)ccc2c1=O
InChIInChI=1S/C18H17FN2O/c1-11(2)14-10-21(15-7-5-4-6-12(15)3)18(22)13-8-9-16(19)20-17(13)14/h4-11H,1-3H3
InChIKeyPYMDMOCVJBKQCI-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.96
Rot. Bonds2

About 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one

2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one (PubChem CID 163211165) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one
PubChem CID163211165
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one
SMILESCc1ccccc1-n1cc(C(C)C)c2nc(F)ccc2c1=O
InChIInChI=1S/C18H17FN2O/c1-11(2)14-10-21(15-7-5-4-6-12(15)3)18(22)13-8-9-16(19)20-17(13)14/h4-11H,1-3H3
InChIKeyPYMDMOCVJBKQCI-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
The IUPAC name of 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one (CID 163211165) is 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
The canonical SMILES for 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one is Cc1ccccc1-n1cc(C(C)C)c2nc(F)ccc2c1=O.
What is the InChIKey of 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
The InChIKey is PYMDMOCVJBKQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11(2)14-10-21(15-7-5-4-6-12(15)3)18(22)13-8-9-16(19)20-17(13)14/h4-11H,1-3H3.
What are the key properties of 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one has a molecular weight of 296.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one is sourced from PubChem (CID 163211165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).