3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one

C23H22N2O3 — CID 118239056

IUPAC3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one
SMILESCOc1cccc(C2CCN(c3ccc(-c4ccncc4)c(OC)c3)C2=O)c1
InChIInChI=1S/C23H22N2O3/c1-27-19-5-3-4-17(14-19)21-10-13-25(23(21)26)18-6-7-20(22(15-18)28-2)16-8-11-24-12-9-16/h3-9,11-12,14-15,21H,10,13H2,1-2H3
InChIKeyTWFDUKHRUBWSII-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.29
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one

3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 118239056) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one
PubChem CID118239056
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one
SMILESCOc1cccc(C2CCN(c3ccc(-c4ccncc4)c(OC)c3)C2=O)c1
InChIInChI=1S/C23H22N2O3/c1-27-19-5-3-4-17(14-19)21-10-13-25(23(21)26)18-6-7-20(22(15-18)28-2)16-8-11-24-12-9-16/h3-9,11-12,14-15,21H,10,13H2,1-2H3
InChIKeyTWFDUKHRUBWSII-UHFFFAOYSA-N
XLogP4.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one (CID 118239056) is 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one is COc1cccc(C2CCN(c3ccc(-c4ccncc4)c(OC)c3)C2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is TWFDUKHRUBWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-19-5-3-4-17(14-19)21-10-13-25(23(21)26)18-6-7-20(22(15-18)28-2)16-8-11-24-12-9-16/h3-9,11-12,14-15,21H,10,13H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one?
3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 374.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 118239056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).