7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one

C26H28N2O4 — CID 17255947

IUPAC7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1
InChIInChI=1S/C26H28N2O4/c1-5-27(6-2)19-11-9-17-13-21(25(29)31-23(17)15-19)22-14-18-10-12-20(28(7-3)8-4)16-24(18)32-26(22)30/h9-16H,5-8H2,1-4H3
InChIKeyMBQBLMOCTYBTMW-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.26
Rot. Bonds7

About 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one

7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one (PubChem CID 17255947) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one
PubChem CID17255947
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1
InChIInChI=1S/C26H28N2O4/c1-5-27(6-2)19-11-9-17-13-21(25(29)31-23(17)15-19)22-14-18-10-12-20(28(7-3)8-4)16-24(18)32-26(22)30/h9-16H,5-8H2,1-4H3
InChIKeyMBQBLMOCTYBTMW-UHFFFAOYSA-N
XLogP5.26
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]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-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one (CID 17255947) is 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one is CCN(CC)c1ccc2cc(-c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one?
The InChIKey is MBQBLMOCTYBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-5-27(6-2)19-11-9-17-13-21(25(29)31-23(17)15-19)22-14-18-10-12-20(28(7-3)8-4)16-24(18)32-26(22)30/h9-16H,5-8H2,1-4H3.
What are the key properties of 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one?
7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one has a molecular weight of 432.52 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromen-3-yl]chromen-2-one is sourced from PubChem (CID 17255947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).