(2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO6 — CID 162671879

IUPAC(2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3c(OC)cccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO6/c1-22-12-7-5-6-11-15(19(20)26-17(11)12)16(21)10-8-13(23-2)18(25-4)14(9-10)24-3/h5-9H,20H2,1-4H3
InChIKeyFTRKXRWJBCAVRM-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.28
Rot. Bonds6

About (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162671879) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162671879
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3c(OC)cccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO6/c1-22-12-7-5-6-11-15(19(20)26-17(11)12)16(21)10-8-13(23-2)18(25-4)14(9-10)24-3/h5-9H,20H2,1-4H3
InChIKeyFTRKXRWJBCAVRM-UHFFFAOYSA-N
XLogP3.28
TPSA93.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162671879) is (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(N)oc3c(OC)cccc23)cc(OC)c1OC.
What is the InChIKey of (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FTRKXRWJBCAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-12-7-5-6-11-15(19(20)26-17(11)12)16(21)10-8-13(23-2)18(25-4)14(9-10)24-3/h5-9H,20H2,1-4H3.
What are the key properties of (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 357.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162671879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).