1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one

C31H34N2O6 — CID 16723691

IUPAC1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one
SMILESCOc1ccc(-n2ccc(=O)c(OCCCCCOc3c(C)n(-c4ccc(OC)cc4)ccc3=O)c2C)cc1
InChIInChI=1S/C31H34N2O6/c1-22-30(28(34)16-18-32(22)24-8-12-26(36-3)13-9-24)38-20-6-5-7-21-39-31-23(2)33(19-17-29(31)35)25-10-14-27(37-4)15-11-25/h8-19H,5-7,20-21H2,1-4H3
InChIKeyBNXXDLQFKFYMEV-UHFFFAOYSA-N
MW530.62 g/mol
LogP5.25
Rot. Bonds12

About 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one

1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one (PubChem CID 16723691) has the molecular formula C31H34N2O6 and a molecular weight of 530.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one
PubChem CID16723691
Molecular FormulaC31H34N2O6
Molecular Weight530.62 g/mol
Exact Mass530.24
IUPAC Name1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one
SMILESCOc1ccc(-n2ccc(=O)c(OCCCCCOc3c(C)n(-c4ccc(OC)cc4)ccc3=O)c2C)cc1
InChIInChI=1S/C31H34N2O6/c1-22-30(28(34)16-18-32(22)24-8-12-26(36-3)13-9-24)38-20-6-5-7-21-39-31-23(2)33(19-17-29(31)35)25-10-14-27(37-4)15-11-25/h8-19H,5-7,20-21H2,1-4H3
InChIKeyBNXXDLQFKFYMEV-UHFFFAOYSA-N
XLogP5.25
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
CID 84572401
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
CID 84572393
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
CID 84572379
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-prop-2-ynoxypyridin-4-one
CID 84572566
3-[3-(4-methoxyphenoxy)propoxy]-2-methylpyran-4-one
CID 82064643
3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one
CID 174703613
4-amino-1-(4-methoxyphenyl)pyridin-2-one
CID 10130616
1-methoxy-4-tetradecoxybenzene
CID 91712423
butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate
CID 84572238
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
CID 84572358

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one (CID 16723691) is 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one is COc1ccc(-n2ccc(=O)c(OCCCCCOc3c(C)n(-c4ccc(OC)cc4)ccc3=O)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one?
The InChIKey is BNXXDLQFKFYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O6/c1-22-30(28(34)16-18-32(22)24-8-12-26(36-3)13-9-24)38-20-6-5-7-21-39-31-23(2)33(19-17-29(31)35)25-10-14-27(37-4)15-11-25/h8-19H,5-7,20-21H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one?
1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one has a molecular weight of 530.62 g/mol, XLogP of 5.25, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one is sourced from PubChem (CID 16723691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).