4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C24H25ClN2O3 — CID 53322554

IUPAC4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2Cl)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H25ClN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2
InChIKeyKIDKROUQSPXENS-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.54
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 53322554) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID53322554
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2Cl)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H25ClN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2
InChIKeyKIDKROUQSPXENS-UHFFFAOYSA-N
XLogP4.54
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 53322554) is 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCc2ccccc2Cl)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is KIDKROUQSPXENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 424.93 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 53322554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).