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

C18H13NO4 — CID 3140654

IUPAC(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc2occ(C(=O)c3oc4ccccc4c3N)c2c1
InChIInChI=1S/C18H13NO4/c1-21-10-6-7-14-12(8-10)13(9-22-14)17(20)18-16(19)11-4-2-3-5-15(11)23-18/h2-9H,19H2,1H3
InChIKeyZNNPXBOHCWVFAG-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.00
Rot. Bonds3

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

(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone (PubChem CID 3140654) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
PubChem CID3140654
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc2occ(C(=O)c3oc4ccccc4c3N)c2c1
InChIInChI=1S/C18H13NO4/c1-21-10-6-7-14-12(8-10)13(9-22-14)17(20)18-16(19)11-4-2-3-5-15(11)23-18/h2-9H,19H2,1H3
InChIKeyZNNPXBOHCWVFAG-UHFFFAOYSA-N
XLogP4.00
TPSA78.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone (CID 3140654) is (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone is COc1ccc2occ(C(=O)c3oc4ccccc4c3N)c2c1.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone?
The InChIKey is ZNNPXBOHCWVFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-21-10-6-7-14-12(8-10)13(9-22-14)17(20)18-16(19)11-4-2-3-5-15(11)23-18/h2-9H,19H2,1H3.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone?
(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone has a molecular weight of 307.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 3140654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).