1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine

C24H25N3O2 — CID 122457779

IUPAC1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine
SMILESCOc1cc2cncc(-c3cc4ccccc4o3)c2cc1CN1CCC(N)CC1
InChIInChI=1S/C24H25N3O2/c1-28-23-12-17-13-26-14-21(24-11-16-4-2-3-5-22(16)29-24)20(17)10-18(23)15-27-8-6-19(25)7-9-27/h2-5,10-14,19H,6-9,15,25H2,1H3
InChIKeyVZUKBAVSWZKKCN-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.58
Rot. Bonds4

About 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine

1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine (PubChem CID 122457779) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine
PubChem CID122457779
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine
SMILESCOc1cc2cncc(-c3cc4ccccc4o3)c2cc1CN1CCC(N)CC1
InChIInChI=1S/C24H25N3O2/c1-28-23-12-17-13-26-14-21(24-11-16-4-2-3-5-22(16)29-24)20(17)10-18(23)15-27-8-6-19(25)7-9-27/h2-5,10-14,19H,6-9,15,25H2,1H3
InChIKeyVZUKBAVSWZKKCN-UHFFFAOYSA-N
XLogP4.58
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine (CID 122457779) is 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine is COc1cc2cncc(-c3cc4ccccc4o3)c2cc1CN1CCC(N)CC1.
What is the InChIKey of 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine?
The InChIKey is VZUKBAVSWZKKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-28-23-12-17-13-26-14-21(24-11-16-4-2-3-5-22(16)29-24)20(17)10-18(23)15-27-8-6-19(25)7-9-27/h2-5,10-14,19H,6-9,15,25H2,1H3.
What are the key properties of 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine?
1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine has a molecular weight of 387.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 122457779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).