8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one

C17H21FN2O — CID 70901480

IUPAC8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(F)c(CCC3CCCCC3)c21
InChIInChI=1S/C17H21FN2O/c1-20-16(21)10-9-15-17(20)13(14(18)11-19-15)8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3
InChIKeySUUDKVAKTIVYLB-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.59
Rot. Bonds3

About 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one

8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one (PubChem CID 70901480) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one
PubChem CID70901480
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(F)c(CCC3CCCCC3)c21
InChIInChI=1S/C17H21FN2O/c1-20-16(21)10-9-15-17(20)13(14(18)11-19-15)8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3
InChIKeySUUDKVAKTIVYLB-UHFFFAOYSA-N
XLogP3.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one (CID 70901480) is 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)ccc2ncc(F)c(CCC3CCCCC3)c21.
What is the InChIKey of 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is SUUDKVAKTIVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20-16(21)10-9-15-17(20)13(14(18)11-19-15)8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3.
What are the key properties of 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one?
8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 288.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 70901480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).