3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one

C28H24N2O3 — CID 67075100

IUPAC3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)N(C)C2)cc1
InChIInChI=1S/C28H24N2O3/c1-30-17-25(19-8-13-23(32-2)14-9-19)27(28(30)31)21-10-15-24(16-11-21)33-18-22-12-7-20-5-3-4-6-26(20)29-22/h3-16H,17-18H2,1-2H3
InChIKeyMCBOAVVCEXFRNI-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.21
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one

3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 67075100) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID67075100
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)N(C)C2)cc1
InChIInChI=1S/C28H24N2O3/c1-30-17-25(19-8-13-23(32-2)14-9-19)27(28(30)31)21-10-15-24(16-11-21)33-18-22-12-7-20-5-3-4-6-26(20)29-22/h3-16H,17-18H2,1-2H3
InChIKeyMCBOAVVCEXFRNI-UHFFFAOYSA-N
XLogP5.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one (CID 67075100) is 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one is COc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)N(C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is MCBOAVVCEXFRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-30-17-25(19-8-13-23(32-2)14-9-19)27(28(30)31)21-10-15-24(16-11-21)33-18-22-12-7-20-5-3-4-6-26(20)29-22/h3-16H,17-18H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one?
3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 436.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 67075100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).