6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline

C22H20N2O2 — CID 44526821

IUPAC6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline
SMILESc1ccc2oc(-c3cc4ccncc4cc3OC3CCNCC3)cc2c1
InChIInChI=1S/C22H20N2O2/c1-2-4-20-16(3-1)12-22(26-20)19-11-15-5-8-24-14-17(15)13-21(19)25-18-6-9-23-10-7-18/h1-5,8,11-14,18,23H,6-7,9-10H2
InChIKeyAKYXPKQYQMIERA-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.78
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline

6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline (PubChem CID 44526821) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline
PubChem CID44526821
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline
SMILESc1ccc2oc(-c3cc4ccncc4cc3OC3CCNCC3)cc2c1
InChIInChI=1S/C22H20N2O2/c1-2-4-20-16(3-1)12-22(26-20)19-11-15-5-8-24-14-17(15)13-21(19)25-18-6-9-23-10-7-18/h1-5,8,11-14,18,23H,6-7,9-10H2
InChIKeyAKYXPKQYQMIERA-UHFFFAOYSA-N
XLogP4.78
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline?
The IUPAC name of 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline (CID 44526821) is 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline?
The canonical SMILES for 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline is c1ccc2oc(-c3cc4ccncc4cc3OC3CCNCC3)cc2c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline?
The InChIKey is AKYXPKQYQMIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-4-20-16(3-1)12-22(26-20)19-11-15-5-8-24-14-17(15)13-21(19)25-18-6-9-23-10-7-18/h1-5,8,11-14,18,23H,6-7,9-10H2.
What are the key properties of 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline?
6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline has a molecular weight of 344.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-7-piperidin-4-yloxyisoquinoline is sourced from PubChem (CID 44526821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).