4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine

C18H14N2O2 — CID 142739735

IUPAC4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(-c3cc4ccccc4o3)cnc(N)c12
InChIInChI=1S/C18H14N2O2/c1-21-15-8-4-6-12-13(10-20-18(19)17(12)15)16-9-11-5-2-3-7-14(11)22-16/h2-10H,1H3,(H2,19,20)
InChIKeyQYFILAUETNQYNL-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.24
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine

4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine (PubChem CID 142739735) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
PubChem CID142739735
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(-c3cc4ccccc4o3)cnc(N)c12
InChIInChI=1S/C18H14N2O2/c1-21-15-8-4-6-12-13(10-20-18(19)17(12)15)16-9-11-5-2-3-7-14(11)22-16/h2-10H,1H3,(H2,19,20)
InChIKeyQYFILAUETNQYNL-UHFFFAOYSA-N
XLogP4.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
2-(2-methylperoxyphenyl)-1-benzofuran
CID 134976959
6-(4-aminocyclohexyl)oxy-4-(1-benzofuran-2-yl)isoquinolin-1-amine
CID 122495143
2-[6-(1-benzofuran-2-yl)-3,8-bis(4-methoxyphenyl)pyren-1-yl]-1-benzofuran
CID 59390327
5-methoxyisoquinoline-1,4-diamine
CID 84661992
2-pyren-1-yl-1-benzofuran
CID 59390386
6-[(4-aminopyridin-1-ium-1-yl)methyl]-4-(1-benzofuran-2-yl)isoquinolin-1-amine
CID 122457793
5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-1,2-oxazole
CID 99964755
8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063137
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
1-methoxyanthracen-9-amine
CID 23131408
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine (CID 142739735) is 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine is COc1cccc2c(-c3cc4ccccc4o3)cnc(N)c12.
What is the InChIKey of 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine?
The InChIKey is QYFILAUETNQYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-15-8-4-6-12-13(10-20-18(19)17(12)15)16-9-11-5-2-3-7-14(11)22-16/h2-10H,1H3,(H2,19,20).
What are the key properties of 4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine?
4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine has a molecular weight of 290.32 g/mol, XLogP of 4.24, 2 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)-8-methoxyisoquinolin-1-amine is sourced from PubChem (CID 142739735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).