2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile

C26H17ClN2O2 — CID 23192723

IUPAC2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile
SMILESN#CCc1ccccc1COc1ccc2cc(-c3ccc4ccc(Cl)cc4n3)oc2c1
InChIInChI=1S/C26H17ClN2O2/c27-21-8-5-18-7-10-23(29-24(18)14-21)26-13-19-6-9-22(15-25(19)31-26)30-16-20-4-2-1-3-17(20)11-12-28/h1-10,13-15H,11,16H2
InChIKeyWYQLXVKIJJZNLT-UHFFFAOYSA-N
MW424.89 g/mol
LogP6.95
Rot. Bonds5

About 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile

2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile (PubChem CID 23192723) has the molecular formula C26H17ClN2O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile
PubChem CID23192723
Molecular FormulaC26H17ClN2O2
Molecular Weight424.89 g/mol
Exact Mass424.10
IUPAC Name2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile
SMILESN#CCc1ccccc1COc1ccc2cc(-c3ccc4ccc(Cl)cc4n3)oc2c1
InChIInChI=1S/C26H17ClN2O2/c27-21-8-5-18-7-10-23(29-24(18)14-21)26-13-19-6-9-22(15-25(19)31-26)30-16-20-4-2-1-3-17(20)11-12-28/h1-10,13-15H,11,16H2
InChIKeyWYQLXVKIJJZNLT-UHFFFAOYSA-N
XLogP6.95
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile (CID 23192723) is 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile is N#CCc1ccccc1COc1ccc2cc(-c3ccc4ccc(Cl)cc4n3)oc2c1.
What is the InChIKey of 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile?
The InChIKey is WYQLXVKIJJZNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN2O2/c27-21-8-5-18-7-10-23(29-24(18)14-21)26-13-19-6-9-22(15-25(19)31-26)30-16-20-4-2-1-3-17(20)11-12-28/h1-10,13-15H,11,16H2.
What are the key properties of 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile?
2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile has a molecular weight of 424.89 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxymethyl]phenyl]acetonitrile is sourced from PubChem (CID 23192723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).