2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one

C25H18FNO3 — CID 18887624

IUPAC2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
SMILESCc1ccc(Nc2oc3c(c2-c2cccc(F)c2)c(=O)oc2ccccc23)c(C)c1
InChIInChI=1S/C25H18FNO3/c1-14-10-11-19(15(2)12-14)27-24-21(16-6-5-7-17(26)13-16)22-23(30-24)18-8-3-4-9-20(18)29-25(22)28/h3-13,27H,1-2H3
InChIKeyQIXIROLEYRDIBR-UHFFFAOYSA-N
MW399.42 g/mol
LogP6.71
Rot. Bonds3

About 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one

2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one (PubChem CID 18887624) has the molecular formula C25H18FNO3 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
PubChem CID18887624
Molecular FormulaC25H18FNO3
Molecular Weight399.42 g/mol
Exact Mass399.13
IUPAC Name2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
SMILESCc1ccc(Nc2oc3c(c2-c2cccc(F)c2)c(=O)oc2ccccc23)c(C)c1
InChIInChI=1S/C25H18FNO3/c1-14-10-11-19(15(2)12-14)27-24-21(16-6-5-7-17(26)13-16)22-23(30-24)18-8-3-4-9-20(18)29-25(22)28/h3-13,27H,1-2H3
InChIKeyQIXIROLEYRDIBR-UHFFFAOYSA-N
XLogP6.71
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-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 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one (CID 18887624) is 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one is Cc1ccc(Nc2oc3c(c2-c2cccc(F)c2)c(=O)oc2ccccc23)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
The InChIKey is QIXIROLEYRDIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO3/c1-14-10-11-19(15(2)12-14)27-24-21(16-6-5-7-17(26)13-16)22-23(30-24)18-8-3-4-9-20(18)29-25(22)28/h3-13,27H,1-2H3.
What are the key properties of 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one has a molecular weight of 399.42 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).