[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol

C19H15NO3 — CID 122457435

IUPAC[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
SMILESCOc1cc2cncc(-c3cc4ccccc4o3)c2cc1CO
InChIInChI=1S/C19H15NO3/c1-22-18-8-13-9-20-10-16(15(13)6-14(18)11-21)19-7-12-4-2-3-5-17(12)23-19/h2-10,21H,11H2,1H3
InChIKeyDARTULKREDIILN-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.15
Rot. Bonds3

About [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol

[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol (PubChem CID 122457435) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol.

Molecular Properties

Compound Name[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
PubChem CID122457435
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
SMILESCOc1cc2cncc(-c3cc4ccccc4o3)c2cc1CO
InChIInChI=1S/C19H15NO3/c1-22-18-8-13-9-20-10-16(15(13)6-14(18)11-21)19-7-12-4-2-3-5-17(12)23-19/h2-10,21H,11H2,1H3
InChIKeyDARTULKREDIILN-UHFFFAOYSA-N
XLogP4.15
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol?
The IUPAC name of [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol (CID 122457435) is [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol.
What is the SMILES notation for [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol?
The canonical SMILES for [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol is COc1cc2cncc(-c3cc4ccccc4o3)c2cc1CO.
What is the InChIKey of [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol?
The InChIKey is DARTULKREDIILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-22-18-8-13-9-20-10-16(15(13)6-14(18)11-21)19-7-12-4-2-3-5-17(12)23-19/h2-10,21H,11H2,1H3.
What are the key properties of [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol?
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol has a molecular weight of 305.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol is sourced from PubChem (CID 122457435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).