[2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H28N2O7 — CID 24880118

IUPAC[2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(NCCN(C)C)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H28N2O7/c1-25(2)10-9-24-23-18(14-7-8-15(28-3)20(27)21(14)32-23)19(26)13-11-16(29-4)22(31-6)17(12-13)30-5/h7-8,11-12,24,27H,9-10H2,1-6H3
InChIKeyKLMZGVQPCSGQON-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.38
Rot. Bonds10

About [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 24880118) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID24880118
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Name[2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(NCCN(C)C)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H28N2O7/c1-25(2)10-9-24-23-18(14-7-8-15(28-3)20(27)21(14)32-23)19(26)13-11-16(29-4)22(31-6)17(12-13)30-5/h7-8,11-12,24,27H,9-10H2,1-6H3
InChIKeyKLMZGVQPCSGQON-UHFFFAOYSA-N
XLogP3.38
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

(2-Amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880117
(2-Amino-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162667200
2-(4-N-Methylpiperazino)-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-benzo[b]furan
CID 11510481
[7-Hydroxy-2-(2-hydroxyethylamino)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24786556
(2-Amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162671879
(2-Amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162672500
(2-Amino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162673243
(2-Amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162675807
2-(4-fluorophenyl)-5-hydroxy-6-methoxy-N-methyl-benzofuran-3-carboxamide
CID 16073263
2-(4-fluorophenyl)-6-hydroxy-5-methoxy-N-methyl-benzofuran-3-carboxamide
CID 16073304
2-((2-methoxyethyl)amino)-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462075
[2-(2-Aminoethylamino)-7-hydroxy-6-methoxybenzofuran-3-yl](3,4,5-trimethoxyphenyl)methanone trifluoroacetate salt
CID 67288576

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 24880118) is [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(NCCN(C)C)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KLMZGVQPCSGQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7/c1-25(2)10-9-24-23-18(14-7-8-15(28-3)20(27)21(14)32-23)19(26)13-11-16(29-4)22(31-6)17(12-13)30-5/h7-8,11-12,24,27H,9-10H2,1-6H3.
What are the key properties of [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 444.48 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 24880118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).