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

C21H21N3O4 — CID 76687180

IUPAC4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)c1OC
InChIInChI=1S/C21H21N3O4/c1-26-18-7-3-5-14(20(18)27-2)17-10-16-15(6-4-8-22-16)21(24-17)28-12-13-9-19(25)23-11-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,25)
InChIKeyZIOOKTYEVOTQQZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.83
Rot. Bonds6

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

4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 76687180) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID76687180
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)c1OC
InChIInChI=1S/C21H21N3O4/c1-26-18-7-3-5-14(20(18)27-2)17-10-16-15(6-4-8-22-16)21(24-17)28-12-13-9-19(25)23-11-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,25)
InChIKeyZIOOKTYEVOTQQZ-UHFFFAOYSA-N
XLogP2.83
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687103
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
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072029
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072033
2-methoxy-4-methyl-1-pentan-3-yloxybenzene;(4R)-4-[(7-methyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one
CID 158893038
4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 78045097
(4R)-1-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118476444
4-[(7-pyridin-2-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one
CID 78045686
ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
CID 144516320

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 76687180) is 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)c1OC.
What is the InChIKey of 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is ZIOOKTYEVOTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-18-7-3-5-14(20(18)27-2)17-10-16-15(6-4-8-22-16)21(24-17)28-12-13-9-19(25)23-11-13/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,25).
What are the key properties of 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 76687180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).