5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine

C24H19NO3 — CID 59573340

IUPAC5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
SMILESc1ccc2c(c1)COc1c(oc3ccccc13)N2c1cccc2c1OCCC2
InChIInChI=1S/C24H19NO3/c1-3-11-19-17(7-1)15-27-23-18-10-2-4-13-21(18)28-24(23)25(19)20-12-5-8-16-9-6-14-26-22(16)20/h1-5,7-8,10-13H,6,9,14-15H2
InChIKeyUSWPLBGUWVQRDF-UHFFFAOYSA-N
MW369.42 g/mol
LogP6.12
Rot. Bonds1

About 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine

5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine (PubChem CID 59573340) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
PubChem CID59573340
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
SMILESc1ccc2c(c1)COc1c(oc3ccccc13)N2c1cccc2c1OCCC2
InChIInChI=1S/C24H19NO3/c1-3-11-19-17(7-1)15-27-23-18-10-2-4-13-21(18)28-24(23)25(19)20-12-5-8-16-9-6-14-26-22(16)20/h1-5,7-8,10-13H,6,9,14-15H2
InChIKeyUSWPLBGUWVQRDF-UHFFFAOYSA-N
XLogP6.12
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine (CID 59573340) is 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine is c1ccc2c(c1)COc1c(oc3ccccc13)N2c1cccc2c1OCCC2.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
The InChIKey is USWPLBGUWVQRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-3-11-19-17(7-1)15-27-23-18-10-2-4-13-21(18)28-24(23)25(19)20-12-5-8-16-9-6-14-26-22(16)20/h1-5,7-8,10-13H,6,9,14-15H2.
What are the key properties of 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine?
5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine has a molecular weight of 369.42 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59573340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).