2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one

C21H19NO4 — CID 8741329

IUPAC2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(C)cc12
InChIInChI=1S/C21H19NO4/c1-13-8-9-16-15(12-13)19-18(21(23)25-16)17(14-6-4-3-5-7-14)20(26-19)22-10-11-24-2/h3-9,12,22H,10-11H2,1-2H3
InChIKeyJSCDZUWPKNSCNA-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one

2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one (PubChem CID 8741329) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one
PubChem CID8741329
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(C)cc12
InChIInChI=1S/C21H19NO4/c1-13-8-9-16-15(12-13)19-18(21(23)25-16)17(14-6-4-3-5-7-14)20(26-19)22-10-11-24-2/h3-9,12,22H,10-11H2,1-2H3
InChIKeyJSCDZUWPKNSCNA-UHFFFAOYSA-N
XLogP4.57
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4,6,7-trimethyl-2-oxofurano[3,2-g]chromen-3-yl)acetamide
CID 4914319
2-(4,6-dimethyl-2-oxofurano[3,2-g]chromen-3-yl)-N-benzylacetamide
CID 4914336
2-[(2-methoxyethyl)amino]-6-methyl-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462555
methyl 4-{8-fluoro-2-[(2-methoxyethyl)amino]-4-oxo-4H-furo[3,2-c]chromen-3-yl}benzoate
CID 8741328
ethyl N-(15,15-dimethyl-9-oxo-11-propyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),10,16-hexaen-4-yl)carbamate
CID 118727414
3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462218
US10399991, Example 12
CID 122537741
3-(2,3-dimethoxyphenyl)-2-((2-methoxyethyl)amino)-4H-furo[3,2-c]chromen-4-one
CID 8741325
2-((2-methoxyethyl)amino)-3-(3,4,5-trimethoxyphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462075
2-((2-methoxyethyl)amino)-6-methyl-3-(2-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462528
2-((2-methoxyethyl)amino)-6-methyl-3-(4-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462530
2-((2-methoxyethyl)amino)-8-methyl-3-(3-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462531

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one (CID 8741329) is 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one is COCCNc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(C)cc12.
What is the InChIKey of 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is JSCDZUWPKNSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-13-8-9-16-15(12-13)19-18(21(23)25-16)17(14-6-4-3-5-7-14)20(26-19)22-10-11-24-2/h3-9,12,22H,10-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one?
2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 349.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 8741329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).