3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one

C22H21NO6 — CID 8741325

IUPAC3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1cccc(OC)c1OC)c(=O)oc1ccccc12
InChIInChI=1S/C22H21NO6/c1-25-12-11-23-21-17(14-8-6-10-16(26-2)19(14)27-3)18-20(29-21)13-7-4-5-9-15(13)28-22(18)24/h4-10,23H,11-12H2,1-3H3
InChIKeyOUYRMHOQJACUMM-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.28
Rot. Bonds7

About 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one

3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one (PubChem CID 8741325) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
PubChem CID8741325
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1cccc(OC)c1OC)c(=O)oc1ccccc12
InChIInChI=1S/C22H21NO6/c1-25-12-11-23-21-17(14-8-6-10-16(26-2)19(14)27-3)18-20(29-21)13-7-4-5-9-15(13)28-22(18)24/h4-10,23H,11-12H2,1-3H3
InChIKeyOUYRMHOQJACUMM-UHFFFAOYSA-N
XLogP4.28
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

[7-Hydroxy-2-(2-hydroxyethylamino)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24786556
N-(3,4-dimethoxybenzyl)-2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide
CID 4966482
2-[(2-methoxyethyl)amino]-6-methyl-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462555
N-(3,4-dimethoxybenzyl)-2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide
CID 2983831
methyl 4-{8-fluoro-2-[(2-methoxyethyl)amino]-4-oxo-4H-furo[3,2-c]chromen-3-yl}benzoate
CID 8741328
methyl N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoyl]phenylalaninate
CID 2956971
3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462218
2-((2-methoxyethyl)amino)-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462075
2-(Cyclohexylamino)-3-(4-methoxyphenyl)-4h-furo[3,2-c]chromen-4-one
CID 12024775
2-(cyclohexylamino)-3-phenyl-4H-furo[3,2-c]chromen-4-one
CID 12024774
3-(2-fluorophenyl)-2-[(2-methoxyethyl)amino]-4H-furo[3,2-c]chromen-4-one
CID 8741318
3-(3-fluorophenyl)-2-((2-methoxyethyl)amino)-4H-furo[3,2-c]chromen-4-one
CID 8741319

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one (CID 8741325) is 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one is COCCNc1oc2c(c1-c1cccc(OC)c1OC)c(=O)oc1ccccc12.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The InChIKey is OUYRMHOQJACUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-25-12-11-23-21-17(14-8-6-10-16(26-2)19(14)27-3)18-20(29-21)13-7-4-5-9-15(13)28-22(18)24/h4-10,23H,11-12H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one has a molecular weight of 395.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 8741325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).