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

C18H16F3N3O2 — CID 10690070

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one
SMILESCN(C)Cc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C18H16F3N3O2/c1-24(2)7-9-15(20)17(23)14-12(25)6-13(26-18(14)16(9)21)8-3-4-11(22)10(19)5-8/h3-6H,7,22-23H2,1-2H3
InChIKeyUPNLGZHAXURRDM-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.10
Rot. Bonds3

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

5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one (PubChem CID 10690070) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one
PubChem CID10690070
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one
SMILESCN(C)Cc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C18H16F3N3O2/c1-24(2)7-9-15(20)17(23)14-12(25)6-13(26-18(14)16(9)21)8-3-4-11(22)10(19)5-8/h3-6H,7,22-23H2,1-2H3
InChIKeyUPNLGZHAXURRDM-UHFFFAOYSA-N
XLogP3.10
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.10
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)methyl]-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)methyl]-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one (CID 10690070) is 5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one is CN(C)Cc1c(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)methyl]-6,8-difluorochromen-4-one?
The InChIKey is UPNLGZHAXURRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-24(2)7-9-15(20)17(23)14-12(25)6-13(26-18(14)16(9)21)8-3-4-11(22)10(19)5-8/h3-6H,7,22-23H2,1-2H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one has a molecular weight of 363.34 g/mol, XLogP of 3.10, 3 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)methyl]-6,8-difluorochromen-4-one is sourced from PubChem (CID 10690070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).