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

C25H26N2O4 — CID 165394405

IUPAC6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc(N5CCC(C)CC5)nc4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C25H26N2O4/c1-15-6-8-27(9-7-15)22-5-4-16(13-26-22)23-19-12-21(30-3)20(29-2)11-17(19)10-18-14-31-25(28)24(18)23/h4-5,10-13,15H,6-9,14H2,1-3H3
InChIKeyULTKCRAUXKGWJL-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.83
Rot. Bonds4

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

6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394405) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394405
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc(N5CCC(C)CC5)nc4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C25H26N2O4/c1-15-6-8-27(9-7-15)22-5-4-16(13-26-22)23-19-12-21(30-3)20(29-2)11-17(19)10-18-14-31-25(28)24(18)23/h4-5,10-13,15H,6-9,14H2,1-3H3
InChIKeyULTKCRAUXKGWJL-UHFFFAOYSA-N
XLogP4.83
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one with MolForge

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Related Compounds

4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394183
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
N-[5-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-2-pyridinyl]-N-methylacetamide
CID 165394309
6,7-dimethoxy-4-[2-(N,3,4-trimethylanilino)pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 165394407
6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
CID 171059418
6,7-dimethoxy-4-[6-[methyl(2-methylbutyl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059228
6,7-dimethoxy-4-[2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 171059325
4-[2-[bis(2-hydroxyethyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059390
6,7-dimethoxy-4-[6-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 171059358
4-[2-[butyl(methyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394233
6,7-dimethoxy-4-(4-piperazin-1-ylquinolin-7-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394402
4-[2-(dioctylamino)pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394256

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one (CID 165394405) is 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4ccc(N5CCC(C)CC5)nc4)c2cc1OC)C(=O)OC3.
What is the InChIKey of 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is ULTKCRAUXKGWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-15-6-8-27(9-7-15)22-5-4-16(13-26-22)23-19-12-21(30-3)20(29-2)11-17(19)10-18-14-31-25(28)24(18)23/h4-5,10-13,15H,6-9,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?
6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 418.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).