5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one

C17H14F3N3O2 — CID 10783980

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one
SMILESCN(C)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C17H14F3N3O2/c1-23(2)16-13(19)15(22)12-10(24)6-11(25-17(12)14(16)20)7-3-4-9(21)8(18)5-7/h3-6H,21-22H2,1-2H3
InChIKeyBDMSQKSFZKFNNO-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.11
Rot. Bonds2

About 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one

5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one (PubChem CID 10783980) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one
PubChem CID10783980
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one
SMILESCN(C)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C17H14F3N3O2/c1-23(2)16-13(19)15(22)12-10(24)6-11(25-17(12)14(16)20)7-3-4-9(21)8(18)5-7/h3-6H,21-22H2,1-2H3
InChIKeyBDMSQKSFZKFNNO-UHFFFAOYSA-N
XLogP3.11
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-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-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one (CID 10783980) is 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one is CN(C)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one?
The InChIKey is BDMSQKSFZKFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23(2)16-13(19)15(22)12-10(24)6-11(25-17(12)14(16)20)7-3-4-9(21)8(18)5-7/h3-6H,21-22H2,1-2H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one has a molecular weight of 349.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-fluorophenyl)-7-(dimethylamino)-6,8-difluorochromen-4-one is sourced from PubChem (CID 10783980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).