1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one

C30H28N2O7 — CID 155733820

IUPAC1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one
SMILESCCc1cccn(-c2ccc3c(c2)OC(COCc2cccn(-c4ccc5c(c4)OCCO5)c2=O)CO3)c1=O
InChIInChI=1S/C30H28N2O7/c1-2-20-5-3-11-31(29(20)33)23-8-10-26-28(16-23)39-24(19-38-26)18-35-17-21-6-4-12-32(30(21)34)22-7-9-25-27(15-22)37-14-13-36-25/h3-12,15-16,24H,2,13-14,17-19H2,1H3
InChIKeyRYXOXRSRFXXRRP-UHFFFAOYSA-N
MW528.56 g/mol
LogP3.68
Rot. Bonds7

About 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one

1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one (PubChem CID 155733820) has the molecular formula C30H28N2O7 and a molecular weight of 528.56 g/mol. Its IUPAC name is 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one
PubChem CID155733820
Molecular FormulaC30H28N2O7
Molecular Weight528.56 g/mol
Exact Mass528.19
IUPAC Name1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one
SMILESCCc1cccn(-c2ccc3c(c2)OC(COCc2cccn(-c4ccc5c(c4)OCCO5)c2=O)CO3)c1=O
InChIInChI=1S/C30H28N2O7/c1-2-20-5-3-11-31(29(20)33)23-8-10-26-28(16-23)39-24(19-38-26)18-35-17-21-6-4-12-32(30(21)34)22-7-9-25-27(15-22)37-14-13-36-25/h3-12,15-16,24H,2,13-14,17-19H2,1H3
InChIKeyRYXOXRSRFXXRRP-UHFFFAOYSA-N
XLogP3.68
TPSA90.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.56
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one?
The IUPAC name of 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one (CID 155733820) is 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one.
What is the SMILES notation for 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one?
The canonical SMILES for 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one is CCc1cccn(-c2ccc3c(c2)OC(COCc2cccn(-c4ccc5c(c4)OCCO5)c2=O)CO3)c1=O.
What is the InChIKey of 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one?
The InChIKey is RYXOXRSRFXXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O7/c1-2-20-5-3-11-31(29(20)33)23-8-10-26-28(16-23)39-24(19-38-26)18-35-17-21-6-4-12-32(30(21)34)22-7-9-25-27(15-22)37-14-13-36-25/h3-12,15-16,24H,2,13-14,17-19H2,1H3.
What are the key properties of 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one?
1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one has a molecular weight of 528.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-pyridinyl]methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-ethylpyridin-2-one is sourced from PubChem (CID 155733820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).