7-(diethylamino)-2-oxochromene-3-carboxamide

C14H16N2O3 — CID 827203

IUPAC7-(diethylamino)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)c(=O)oc2c1
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H2,15,17)
InChIKeyIFINBKWRDJSEGA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.74
Rot. Bonds4

About 7-(diethylamino)-2-oxochromene-3-carboxamide

7-(diethylamino)-2-oxochromene-3-carboxamide (PubChem CID 827203) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-oxochromene-3-carboxamide
PubChem CID827203
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name7-(diethylamino)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)c(=O)oc2c1
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H2,15,17)
InChIKeyIFINBKWRDJSEGA-UHFFFAOYSA-N
XLogP1.74
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(diethylamino)-2-oxochromene-3-carboxamide 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

4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
7-(Diethylamino)-4-hydroxy-2H-1-benzopyran-2-one
CID 54680650
7-Diethylaminocoumarin-3-carboxylic acid
CID 659294
7-(Diethylamino)coumarin-3-carbonitrile
CID 688937

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-oxochromene-3-carboxamide (CID 827203) is 7-(diethylamino)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(N)=O)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-oxochromene-3-carboxamide?
The InChIKey is IFINBKWRDJSEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 7-(diethylamino)-2-oxochromene-3-carboxamide?
7-(diethylamino)-2-oxochromene-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 827203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).