4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C20H18FN3O3 — CID 76687103

IUPAC4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)ccc1F
InChIInChI=1S/C20H18FN3O3/c1-26-18-8-13(4-5-15(18)21)16-9-17-14(3-2-6-22-17)20(24-16)27-11-12-7-19(25)23-10-12/h2-6,8-9,12H,7,10-11H2,1H3,(H,23,25)
InChIKeyAYFLFKHHVVQKAL-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.96
Rot. Bonds5

About 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 76687103) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID76687103
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)ccc1F
InChIInChI=1S/C20H18FN3O3/c1-26-18-8-13(4-5-15(18)21)16-9-17-14(3-2-6-22-17)20(24-16)27-11-12-7-19(25)23-10-12/h2-6,8-9,12H,7,10-11H2,1H3,(H,23,25)
InChIKeyAYFLFKHHVVQKAL-UHFFFAOYSA-N
XLogP2.96
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444763
4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444747
4-[[7-[4-methoxy-3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687146
(4R)-4-[[7-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072091
4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687180
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072033
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072029
4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 78045097
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
CID 58071915
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132
(3S)-3-[[7-[4-methoxy-3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]cyclopentan-1-one
CID 58071991

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 76687103) is 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)ccc1F.
What is the InChIKey of 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is AYFLFKHHVVQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-18-8-13(4-5-15(18)21)16-9-17-14(3-2-6-22-17)20(24-16)27-11-12-7-19(25)23-10-12/h2-6,8-9,12H,7,10-11H2,1H3,(H,23,25).
What are the key properties of 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 367.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 76687103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).