7-(diethylamino)-3-thiophen-2-ylchromen-2-one

C17H17NO2S — CID 57494118

IUPAC7-(diethylamino)-3-thiophen-2-ylchromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3cccs3)c(=O)oc2c1
InChIInChI=1S/C17H17NO2S/c1-3-18(4-2)13-8-7-12-10-14(16-6-5-9-21-16)17(19)20-15(12)11-13/h5-11H,3-4H2,1-2H3
InChIKeyALJRTBKJTPXLCD-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.37
Rot. Bonds4

About 7-(diethylamino)-3-thiophen-2-ylchromen-2-one

7-(diethylamino)-3-thiophen-2-ylchromen-2-one (PubChem CID 57494118) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 7-(diethylamino)-3-thiophen-2-ylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-thiophen-2-ylchromen-2-one
PubChem CID57494118
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name7-(diethylamino)-3-thiophen-2-ylchromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3cccs3)c(=O)oc2c1
InChIInChI=1S/C17H17NO2S/c1-3-18(4-2)13-8-7-12-10-14(16-6-5-9-21-16)17(19)20-15(12)11-13/h5-11H,3-4H2,1-2H3
InChIKeyALJRTBKJTPXLCD-UHFFFAOYSA-N
XLogP4.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
CID 342536
7-(diethylamino)-3-[(4-methylphenyl)sulfonyl]-2H-chromen-2-one
CID 360218
7-(Diethylamino)-3-phenyl-2H-chromen-2-one
CID 688943
7-(Diethylamino)-6-thiophen-2-ylchromen-2-one
CID 56594613
N-(4-ethylphenyl)-4-oxo-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 15987620
7-[4-(Diethylamino)phenyl]-3-(thiophene-2-carbonyl)chromen-2-one
CID 54587235
7-(Diethylamino)-3-(thiophene-3-carbonyl)-2H-chromen-2-one
CID 21920526
5-(2-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196495
[2-Methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] thiophene-2-carboxylate
CID 135265435
Coumarin, 3-phenyl-4-methyl-7-diethylamino-
CID 141466
7-(diethylamino)-3-[(4-fluorophenyl)sulfonyl]-2H-chromen-2-one
CID 20864487
N-(4-methyl-2-oxochromen-7-yl)thiophene-3-carboxamide
CID 25653072

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-thiophen-2-ylchromen-2-one?
The IUPAC name of 7-(diethylamino)-3-thiophen-2-ylchromen-2-one (CID 57494118) is 7-(diethylamino)-3-thiophen-2-ylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-thiophen-2-ylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-thiophen-2-ylchromen-2-one is CCN(CC)c1ccc2cc(-c3cccs3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-thiophen-2-ylchromen-2-one?
The InChIKey is ALJRTBKJTPXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-18(4-2)13-8-7-12-10-14(16-6-5-9-21-16)17(19)20-15(12)11-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-thiophen-2-ylchromen-2-one?
7-(diethylamino)-3-thiophen-2-ylchromen-2-one has a molecular weight of 299.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-thiophen-2-ylchromen-2-one is sourced from PubChem (CID 57494118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).