(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

C17H15NO4 — CID 1088163

IUPAC(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3ccc(OC)cc3c2N)cc1
InChIInChI=1S/C17H15NO4/c1-20-11-5-3-10(4-6-11)16(19)17-15(18)13-9-12(21-2)7-8-14(13)22-17/h3-9H,18H2,1-2H3
InChIKeySUVDQCRXQVEAAB-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.26
Rot. Bonds4

About (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 1088163) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
PubChem CID1088163
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3ccc(OC)cc3c2N)cc1
InChIInChI=1S/C17H15NO4/c1-20-11-5-3-10(4-6-11)16(19)17-15(18)13-9-12(21-2)7-8-14(13)22-17/h3-9H,18H2,1-2H3
InChIKeySUVDQCRXQVEAAB-UHFFFAOYSA-N
XLogP3.26
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (CID 1088163) is (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2oc3ccc(OC)cc3c2N)cc1.
What is the InChIKey of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is SUVDQCRXQVEAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-11-5-3-10(4-6-11)16(19)17-15(18)13-9-12(21-2)7-8-14(13)22-17/h3-9H,18H2,1-2H3.
What are the key properties of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 297.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).