7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one

C21H24N2O2 — CID 56594213

IUPAC7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one
SMILESCCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-5-23(6-2)19-14-20-16(9-12-21(24)25-20)13-18(19)15-7-10-17(11-8-15)22(3)4/h7-14H,5-6H2,1-4H3
InChIKeyAVHPOQHOAZUHSK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.37
Rot. Bonds5

About 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one

7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one (PubChem CID 56594213) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one
PubChem CID56594213
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one
SMILESCCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-5-23(6-2)19-14-20-16(9-12-21(24)25-20)13-18(19)15-7-10-17(11-8-15)22(3)4/h7-14H,5-6H2,1-4H3
InChIKeyAVHPOQHOAZUHSK-UHFFFAOYSA-N
XLogP4.37
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(diethylamino)-6-[4-(dimethylamino)phenyl]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)-6-[4-(dimethylamino)phenyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one (CID 56594213) is 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one is CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one?
The InChIKey is AVHPOQHOAZUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-23(6-2)19-14-20-16(9-12-21(24)25-20)13-18(19)15-7-10-17(11-8-15)22(3)4/h7-14H,5-6H2,1-4H3.
What are the key properties of 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one?
7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one has a molecular weight of 336.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-6-[4-(dimethylamino)phenyl]chromen-2-one is sourced from PubChem (CID 56594213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).