3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline

C19H15NO3 — CID 177380107

IUPAC3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline
SMILESCOc1ccc2cc(-c3cc4ccccc4o3)ncc2c1OC
InChIInChI=1S/C19H15NO3/c1-21-17-8-7-12-9-15(20-11-14(12)19(17)22-2)18-10-13-5-3-4-6-16(13)23-18/h3-11H,1-2H3
InChIKeyXSIBQEROLURJHE-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.67
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline

3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline (PubChem CID 177380107) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline
PubChem CID177380107
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline
SMILESCOc1ccc2cc(-c3cc4ccccc4o3)ncc2c1OC
InChIInChI=1S/C19H15NO3/c1-21-17-8-7-12-9-15(20-11-14(12)19(17)22-2)18-10-13-5-3-4-6-16(13)23-18/h3-11H,1-2H3
InChIKeyXSIBQEROLURJHE-UHFFFAOYSA-N
XLogP4.67
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline?
The IUPAC name of 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline (CID 177380107) is 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline?
The canonical SMILES for 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline is COc1ccc2cc(-c3cc4ccccc4o3)ncc2c1OC.
What is the InChIKey of 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline?
The InChIKey is XSIBQEROLURJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-21-17-8-7-12-9-15(20-11-14(12)19(17)22-2)18-10-13-5-3-4-6-16(13)23-18/h3-11H,1-2H3.
What are the key properties of 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline?
3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline has a molecular weight of 305.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-7,8-dimethoxyisoquinoline is sourced from PubChem (CID 177380107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).