2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one

C20H21NO7 — CID 53323202

IUPAC2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)cc1N
InChIInChI=1S/C20H21NO7/c1-23-13-7-6-10(8-12(13)21)16-19(26-4)15(22)11-9-14(24-2)18(25-3)20(27-5)17(11)28-16/h6-9H,21H2,1-5H3
InChIKeyRIIPYJYRBOQZEW-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.09
Rot. Bonds6

About 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one

2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one (PubChem CID 53323202) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
PubChem CID53323202
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)cc1N
InChIInChI=1S/C20H21NO7/c1-23-13-7-6-10(8-12(13)21)16-19(26-4)15(22)11-9-14(24-2)18(25-3)20(27-5)17(11)28-16/h6-9H,21H2,1-5H3
InChIKeyRIIPYJYRBOQZEW-UHFFFAOYSA-N
XLogP3.09
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one?
The IUPAC name of 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one (CID 53323202) is 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one.
What is the SMILES notation for 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one?
The canonical SMILES for 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one is COc1ccc(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one?
The InChIKey is RIIPYJYRBOQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-23-13-7-6-10(8-12(13)21)16-19(26-4)15(22)11-9-14(24-2)18(25-3)20(27-5)17(11)28-16/h6-9H,21H2,1-5H3.
What are the key properties of 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one?
2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one has a molecular weight of 387.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one is sourced from PubChem (CID 53323202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).