6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one

C16H16N2O4 — CID 3131560

IUPAC6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1cccc(C)n1
InChIInChI=1S/C16H16N2O4/c1-9-5-4-6-12(17-9)18-15-10-7-8-11(20-2)14(21-3)13(10)16(19)22-15/h4-8,15H,1-3H3,(H,17,18)
InChIKeyMIMUMQVICHCVGD-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.69
Rot. Bonds4

About 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one

6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one (PubChem CID 3131560) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
PubChem CID3131560
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1cccc(C)n1
InChIInChI=1S/C16H16N2O4/c1-9-5-4-6-12(17-9)18-15-10-7-8-11(20-2)14(21-3)13(10)16(19)22-15/h4-8,15H,1-3H3,(H,17,18)
InChIKeyMIMUMQVICHCVGD-UHFFFAOYSA-N
XLogP2.69
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-Dibromo-pyridin-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
CID 3773943
N-(6-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 24761579
6,7-dimethoxy-3-((3-methylpyridin-2-yl)amino)isobenzofuran-1(3H)-one
CID 2878814
6,7-dimethoxy-3-(pyridin-2-ylamino)-3H-2-benzofuran-1-one
CID 3133599
Cambridge id 6977527
CID 778100
3-[(5-bromopyridin-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3131561
US20240368104, Example 261
CID 165394406
6,7-Dimethoxy-3-(2-pyrimidinylamino)-1(3H)-isobenzofuranone
CID 2848904
6,7-dimethoxy-3-[(4-methylpyridin-2-yl)amino]-3H-2-benzofuran-1-one
CID 3131559
3-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]pyrazine-2-carboxylic acid
CID 3776221
6,7-dimethoxy-3-[(2-methyl-4-quinolinyl)amino]-2-benzofuran-1(3H)-one
CID 4057847
6,7-dimethoxy-3-(pyridin-3-ylamino)isobenzofuran-1(3H)-one
CID 4921045

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
The IUPAC name of 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one (CID 3131560) is 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2Nc1cccc(C)n1.
What is the InChIKey of 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
The InChIKey is MIMUMQVICHCVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-5-4-6-12(17-9)18-15-10-7-8-11(20-2)14(21-3)13(10)16(19)22-15/h4-8,15H,1-3H3,(H,17,18).
What are the key properties of 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one?
6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one has a molecular weight of 300.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3131560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).