1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one

C23H24N2O3 — CID 53318592

IUPAC1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCC(Oc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc2)C1
InChIInChI=1S/C23H24N2O3/c1-24-13-11-22(16-24)28-20-9-7-19(8-10-20)25-14-12-21(15-23(25)26)27-17-18-5-3-2-4-6-18/h2-10,12,14-15,22H,11,13,16-17H2,1H3
InChIKeyUULNBRJDGOKKRC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.50
Rot. Bonds6

About 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one

1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53318592) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53318592
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCC(Oc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc2)C1
InChIInChI=1S/C23H24N2O3/c1-24-13-11-22(16-24)28-20-9-7-19(8-10-20)25-14-12-21(15-23(25)26)27-17-18-5-3-2-4-6-18/h2-10,12,14-15,22H,11,13,16-17H2,1H3
InChIKeyUULNBRJDGOKKRC-UHFFFAOYSA-N
XLogP3.50
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one (CID 53318592) is 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one is CN1CCC(Oc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc2)C1.
What is the InChIKey of 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is UULNBRJDGOKKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-24-13-11-22(16-24)28-20-9-7-19(8-10-20)25-14-12-21(15-23(25)26)27-17-18-5-3-2-4-6-18/h2-10,12,14-15,22H,11,13,16-17H2,1H3.
What are the key properties of 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one?
1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53318592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).