4-(2-benzofuran-1-yl)cinnoline

C16H10N2O — CID 90877471

IUPAC4-(2-benzofuran-1-yl)cinnoline
SMILESc1ccc2c(-c3cnnc4ccccc34)occ2c1
InChIInChI=1S/C16H10N2O/c1-2-6-12-11(5-1)10-19-16(12)14-9-17-18-15-8-4-3-7-13(14)15/h1-10H
InChIKeyBWSSBDMTQNLIAS-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.04
Rot. Bonds1

About 4-(2-benzofuran-1-yl)cinnoline

4-(2-benzofuran-1-yl)cinnoline (PubChem CID 90877471) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2-benzofuran-1-yl)cinnoline.

Molecular Properties

Compound Name4-(2-benzofuran-1-yl)cinnoline
PubChem CID90877471
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name4-(2-benzofuran-1-yl)cinnoline
SMILESc1ccc2c(-c3cnnc4ccccc34)occ2c1
InChIInChI=1S/C16H10N2O/c1-2-6-12-11(5-1)10-19-16(12)14-9-17-18-15-8-4-3-7-13(14)15/h1-10H
InChIKeyBWSSBDMTQNLIAS-UHFFFAOYSA-N
XLogP4.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzofuran-1-yl)cinnoline?
The IUPAC name of 4-(2-benzofuran-1-yl)cinnoline (CID 90877471) is 4-(2-benzofuran-1-yl)cinnoline.
What is the SMILES notation for 4-(2-benzofuran-1-yl)cinnoline?
The canonical SMILES for 4-(2-benzofuran-1-yl)cinnoline is c1ccc2c(-c3cnnc4ccccc34)occ2c1.
What is the InChIKey of 4-(2-benzofuran-1-yl)cinnoline?
The InChIKey is BWSSBDMTQNLIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-2-6-12-11(5-1)10-19-16(12)14-9-17-18-15-8-4-3-7-13(14)15/h1-10H.
What are the key properties of 4-(2-benzofuran-1-yl)cinnoline?
4-(2-benzofuran-1-yl)cinnoline has a molecular weight of 246.27 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzofuran-1-yl)cinnoline is sourced from PubChem (CID 90877471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).