3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline

C22H20N2O2 — CID 135235976

IUPAC3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
SMILESc1cnc(Oc2cnc3c(c2)CCCC3)c(-c2cccc3c2OCC3)c1
InChIInChI=1S/C22H20N2O2/c1-2-9-20-16(5-1)13-17(14-24-20)26-22-19(8-4-11-23-22)18-7-3-6-15-10-12-25-21(15)18/h3-4,6-8,11,13-14H,1-2,5,9-10,12H2
InChIKeyKYJBVDFJCRYBFU-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.75
Rot. Bonds3

About 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline

3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline (PubChem CID 135235976) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
PubChem CID135235976
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
SMILESc1cnc(Oc2cnc3c(c2)CCCC3)c(-c2cccc3c2OCC3)c1
InChIInChI=1S/C22H20N2O2/c1-2-9-20-16(5-1)13-17(14-24-20)26-22-19(8-4-11-23-22)18-7-3-6-15-10-12-25-21(15)18/h3-4,6-8,11,13-14H,1-2,5,9-10,12H2
InChIKeyKYJBVDFJCRYBFU-UHFFFAOYSA-N
XLogP4.75
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline (CID 135235976) is 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline is c1cnc(Oc2cnc3c(c2)CCCC3)c(-c2cccc3c2OCC3)c1.
What is the InChIKey of 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
The InChIKey is KYJBVDFJCRYBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-9-20-16(5-1)13-17(14-24-20)26-22-19(8-4-11-23-22)18-7-3-6-15-10-12-25-21(15)18/h3-4,6-8,11,13-14H,1-2,5,9-10,12H2.
What are the key properties of 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline has a molecular weight of 344.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 135235976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).