4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine

C23H22FNO3 — CID 18184283

IUPAC4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc2occ(CCN3CC=C(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C23H22FNO3/c24-18-4-5-21-20(14-18)17(15-28-21)8-11-25-9-6-16(7-10-25)19-2-1-3-22-23(19)27-13-12-26-22/h1-6,14-15H,7-13H2
InChIKeyCLJAOJUFOSBCLF-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.67
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine

4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine (PubChem CID 18184283) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine
PubChem CID18184283
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc2occ(CCN3CC=C(c4cccc5c4OCCO5)CC3)c2c1
InChIInChI=1S/C23H22FNO3/c24-18-4-5-21-20(14-18)17(15-28-21)8-11-25-9-6-16(7-10-25)19-2-1-3-22-23(19)27-13-12-26-22/h1-6,14-15H,7-13H2
InChIKeyCLJAOJUFOSBCLF-UHFFFAOYSA-N
XLogP4.67
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine (CID 18184283) is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine is Fc1ccc2occ(CCN3CC=C(c4cccc5c4OCCO5)CC3)c2c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is CLJAOJUFOSBCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c24-18-4-5-21-20(14-18)17(15-28-21)8-11-25-9-6-16(7-10-25)19-2-1-3-22-23(19)27-13-12-26-22/h1-6,14-15H,7-13H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 379.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 18184283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).