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

C24H27N3O5 — CID 76687088

IUPAC4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
SMILESCOCCC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C24H27N3O5/c1-29-10-8-20(16-12-23(28)26-14-16)32-24-17-5-4-9-25-19(17)13-18(27-24)15-6-7-21(30-2)22(11-15)31-3/h4-7,9,11,13,16,20H,8,10,12,14H2,1-3H3,(H,26,28)
InChIKeyOFXAGCGBWBJSDR-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.23
Rot. Bonds9

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

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one (PubChem CID 76687088) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
PubChem CID76687088
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
SMILESCOCCC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C24H27N3O5/c1-29-10-8-20(16-12-23(28)26-14-16)32-24-17-5-4-9-25-19(17)13-18(27-24)15-6-7-21(30-2)22(11-15)31-3/h4-7,9,11,13,16,20H,8,10,12,14H2,1-3H3,(H,26,28)
InChIKeyOFXAGCGBWBJSDR-UHFFFAOYSA-N
XLogP3.23
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132
(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-methoxy-4-(oxan-4-yloxy)phenyl]-1,6-naphthyridin-5-yl]oxy]butyl]pyrrolidin-2-one
CID 123165250
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-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687101
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003
4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687103
(4R)-4-[[7-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072091
(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58072036

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one (CID 76687088) is 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one is COCCC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one?
The InChIKey is OFXAGCGBWBJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-29-10-8-20(16-12-23(28)26-14-16)32-24-17-5-4-9-25-19(17)13-18(27-24)15-6-7-21(30-2)22(11-15)31-3/h4-7,9,11,13,16,20H,8,10,12,14H2,1-3H3,(H,26,28).
What are the key properties of 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one?
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one has a molecular weight of 437.50 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 76687088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).