3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline

C21H14N2O — CID 172522612

IUPAC3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
SMILESCc1cc2ccc3c4cccc(-c5ccccn5)c4oc3c2cn1
InChIInChI=1S/C21H14N2O/c1-13-11-14-8-9-16-15-5-4-6-17(19-7-2-3-10-22-19)20(15)24-21(16)18(14)12-23-13/h2-12H,1H3
InChIKeyMLKWHXXNAZRPPF-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.50
Rot. Bonds1

About 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline

3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline (PubChem CID 172522612) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline.

Molecular Properties

Compound Name3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
PubChem CID172522612
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
SMILESCc1cc2ccc3c4cccc(-c5ccccn5)c4oc3c2cn1
InChIInChI=1S/C21H14N2O/c1-13-11-14-8-9-16-15-5-4-6-17(19-7-2-3-10-22-19)20(15)24-21(16)18(14)12-23-13/h2-12H,1H3
InChIKeyMLKWHXXNAZRPPF-UHFFFAOYSA-N
XLogP5.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline?
The IUPAC name of 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline (CID 172522612) is 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline.
What is the SMILES notation for 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline?
The canonical SMILES for 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline is Cc1cc2ccc3c4cccc(-c5ccccn5)c4oc3c2cn1.
What is the InChIKey of 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline?
The InChIKey is MLKWHXXNAZRPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-13-11-14-8-9-16-15-5-4-6-17(19-7-2-3-10-22-19)20(15)24-21(16)18(14)12-23-13/h2-12H,1H3.
What are the key properties of 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline?
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline has a molecular weight of 310.36 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline is sourced from PubChem (CID 172522612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).