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

C22H23N3O4 — CID 76687132

IUPAC4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC(C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)
InChIKeyRPYMEOCZLCXVGD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.22
Rot. Bonds6

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

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 76687132) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID76687132
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC(C)C3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)
InChIKeyRPYMEOCZLCXVGD-UHFFFAOYSA-N
XLogP3.22
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
CID 76687212
(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]-3-methoxypropyl]pyrrolidin-2-one
CID 76687088
4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687101
(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58072036
4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444763
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
4-[1-[6-(3,4-dimethoxyphenyl)-2,3-dimethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123591299
4-[1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123901063
4-[1-[[7-[3-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one
CID 123165250
(3S)-3-[(1R)-1-[[7-[3-methoxy-4-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]cyclohexan-1-one
CID 138656104
4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444747

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 76687132) is 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(OC(C)C3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is RPYMEOCZLCXVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26).
What are the key properties of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 393.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 76687132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).