4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

C23H24N2O4 — CID 165394194

IUPAC4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCCN(CC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cn1
InChIInChI=1S/C23H24N2O4/c1-5-25(6-2)20-8-7-14(12-24-20)21-17-11-19(28-4)18(27-3)10-15(17)9-16-13-29-23(26)22(16)21/h7-12H,5-6,13H2,1-4H3
InChIKeyNDTJEERQUISFBH-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.44
Rot. Bonds6

About 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394194) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394194
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCCN(CC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cn1
InChIInChI=1S/C23H24N2O4/c1-5-25(6-2)20-8-7-14(12-24-20)21-17-11-19(28-4)18(27-3)10-15(17)9-16-13-29-23(26)22(16)21/h7-12H,5-6,13H2,1-4H3
InChIKeyNDTJEERQUISFBH-UHFFFAOYSA-N
XLogP4.44
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (CID 165394194) is 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is CCN(CC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cn1.
What is the InChIKey of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is NDTJEERQUISFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-5-25(6-2)20-8-7-14(12-24-20)21-17-11-19(28-4)18(27-3)10-15(17)9-16-13-29-23(26)22(16)21/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 392.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).