7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one

C19H18FNO2 — CID 71659821

IUPAC7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccccc3F)c(=O)oc2c1
InChIInChI=1S/C19H18FNO2/c1-3-21(4-2)14-10-9-13-11-16(19(22)23-18(13)12-14)15-7-5-6-8-17(15)20/h5-12H,3-4H2,1-2H3
InChIKeyCRQBRIUAIDKVNG-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.45
Rot. Bonds4

About 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one

7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one (PubChem CID 71659821) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one
PubChem CID71659821
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccccc3F)c(=O)oc2c1
InChIInChI=1S/C19H18FNO2/c1-3-21(4-2)14-10-9-13-11-16(19(22)23-18(13)12-14)15-7-5-6-8-17(15)20/h5-12H,3-4H2,1-2H3
InChIKeyCRQBRIUAIDKVNG-UHFFFAOYSA-N
XLogP4.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(diethylamino)-3-(2-fluorophenyl)chromen-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 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one (CID 71659821) is 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one is CCN(CC)c1ccc2cc(-c3ccccc3F)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one?
The InChIKey is CRQBRIUAIDKVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-3-21(4-2)14-10-9-13-11-16(19(22)23-18(13)12-14)15-7-5-6-8-17(15)20/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one?
7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one has a molecular weight of 311.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(2-fluorophenyl)chromen-2-one is sourced from PubChem (CID 71659821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).