10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one

C20H17NO5 — CID 59572643

IUPAC10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2C(=O)Oc2ccoc21
InChIInChI=1S/C20H17NO5/c1-12-10-16(23-2)18(17(11-12)24-3)21-14-7-5-4-6-13(14)20(22)26-15-8-9-25-19(15)21/h4-11H,1-3H3
InChIKeyUAXLPQMSCADXRL-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.61
Rot. Bonds3

About 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one

10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one (PubChem CID 59572643) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one.

Molecular Properties

Compound Name10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
PubChem CID59572643
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2C(=O)Oc2ccoc21
InChIInChI=1S/C20H17NO5/c1-12-10-16(23-2)18(17(11-12)24-3)21-14-7-5-4-6-13(14)20(22)26-15-8-9-25-19(15)21/h4-11H,1-3H3
InChIKeyUAXLPQMSCADXRL-UHFFFAOYSA-N
XLogP4.61
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one (CID 59572643) is 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one.
What is the SMILES notation for 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The canonical SMILES for 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one is COc1cc(C)cc(OC)c1N1c2ccccc2C(=O)Oc2ccoc21.
What is the InChIKey of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The InChIKey is UAXLPQMSCADXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-12-10-16(23-2)18(17(11-12)24-3)21-14-7-5-4-6-13(14)20(22)26-15-8-9-25-19(15)21/h4-11H,1-3H3.
What are the key properties of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one has a molecular weight of 351.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one is sourced from PubChem (CID 59572643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).