3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one

C22H20N2O4 — CID 54686490

IUPAC3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one
SMILESCCN(CC)c1ccc2cc(-c3c(O)c4ccccc4[nH]c3=O)c(=O)oc2c1
InChIInChI=1S/C22H20N2O4/c1-3-24(4-2)14-10-9-13-11-16(22(27)28-18(13)12-14)19-20(25)15-7-5-6-8-17(15)23-21(19)26/h5-12H,3-4H2,1-2H3,(H2,23,25,26)
InChIKeyZWYWAVSVXUITRO-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.85
Rot. Bonds4

About 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one

3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 54686490) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one
PubChem CID54686490
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one
SMILESCCN(CC)c1ccc2cc(-c3c(O)c4ccccc4[nH]c3=O)c(=O)oc2c1
InChIInChI=1S/C22H20N2O4/c1-3-24(4-2)14-10-9-13-11-16(22(27)28-18(13)12-14)19-20(25)15-7-5-6-8-17(15)23-21(19)26/h5-12H,3-4H2,1-2H3,(H2,23,25,26)
InChIKeyZWYWAVSVXUITRO-UHFFFAOYSA-N
XLogP3.85
TPSA86.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one 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 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one (CID 54686490) is 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one is CCN(CC)c1ccc2cc(-c3c(O)c4ccccc4[nH]c3=O)c(=O)oc2c1.
What is the InChIKey of 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is ZWYWAVSVXUITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-3-24(4-2)14-10-9-13-11-16(22(27)28-18(13)12-14)19-20(25)15-7-5-6-8-17(15)23-21(19)26/h5-12H,3-4H2,1-2H3,(H2,23,25,26).
What are the key properties of 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one?
3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 376.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(diethylamino)-2-oxochromen-3-yl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54686490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).