5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one

C15H11FN2O2 — CID 10754491

IUPAC5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)ccc(F)c3o2)cc1
InChIInChI=1S/C15H11FN2O2/c16-10-5-6-11(18)14-12(19)7-13(20-15(10)14)8-1-3-9(17)4-2-8/h1-7H,17-18H2
InChIKeyYUSXORRRFXPXRS-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.76
Rot. Bonds1

About 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one

5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one (PubChem CID 10754491) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one
PubChem CID10754491
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)ccc(F)c3o2)cc1
InChIInChI=1S/C15H11FN2O2/c16-10-5-6-11(18)14-12(19)7-13(20-15(10)14)8-1-3-9(17)4-2-8/h1-7H,17-18H2
InChIKeyYUSXORRRFXPXRS-UHFFFAOYSA-N
XLogP2.76
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-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 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one (CID 10754491) is 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)ccc(F)c3o2)cc1.
What is the InChIKey of 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one?
The InChIKey is YUSXORRRFXPXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-10-5-6-11(18)14-12(19)7-13(20-15(10)14)8-1-3-9(17)4-2-8/h1-7H,17-18H2.
What are the key properties of 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one?
5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one has a molecular weight of 270.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-aminophenyl)-8-fluorochromen-4-one is sourced from PubChem (CID 10754491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).