7-(diethylamino)-2-oxochromene-3-carboxylic acid

C14H15NO4 — CID 659294

IUPAC7-(diethylamino)-2-oxochromene-3-carboxylic acid
SMILESCCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1
InChIInChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyWHCPTFFIERCDSB-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.34
Rot. Bonds4

About 7-(diethylamino)-2-oxochromene-3-carboxylic acid

7-(diethylamino)-2-oxochromene-3-carboxylic acid (PubChem CID 659294) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name7-(diethylamino)-2-oxochromene-3-carboxylic acid
PubChem CID659294
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name7-(diethylamino)-2-oxochromene-3-carboxylic acid
SMILESCCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1
InChIInChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyWHCPTFFIERCDSB-UHFFFAOYSA-N
XLogP2.34
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.34
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-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxochromene-3-carboxylic acid?
The IUPAC name of 7-(diethylamino)-2-oxochromene-3-carboxylic acid (CID 659294) is 7-(diethylamino)-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 7-(diethylamino)-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 7-(diethylamino)-2-oxochromene-3-carboxylic acid is CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-oxochromene-3-carboxylic acid?
The InChIKey is WHCPTFFIERCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 7-(diethylamino)-2-oxochromene-3-carboxylic acid?
7-(diethylamino)-2-oxochromene-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.34, 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-carboxylic acid is sourced from PubChem (CID 659294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).