2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one

C16H11F2NOS — CID 23614324

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one
SMILESO=c1cc(SCc2cccc(F)c2F)[nH]c2ccccc12
InChIInChI=1S/C16H11F2NOS/c17-12-6-3-4-10(16(12)18)9-21-15-8-14(20)11-5-1-2-7-13(11)19-15/h1-8H,9H2,(H,19,20)
InChIKeyXEMFEXZVTYGHFB-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.10
Rot. Bonds3

About 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one

2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one (PubChem CID 23614324) has the molecular formula C16H11F2NOS and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one
PubChem CID23614324
Molecular FormulaC16H11F2NOS
Molecular Weight303.33 g/mol
Exact Mass303.05
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one
SMILESO=c1cc(SCc2cccc(F)c2F)[nH]c2ccccc12
InChIInChI=1S/C16H11F2NOS/c17-12-6-3-4-10(16(12)18)9-21-15-8-14(20)11-5-1-2-7-13(11)19-15/h1-8H,9H2,(H,19,20)
InChIKeyXEMFEXZVTYGHFB-UHFFFAOYSA-N
XLogP4.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-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-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one (CID 23614324) is 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one is O=c1cc(SCc2cccc(F)c2F)[nH]c2ccccc12.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
The InChIKey is XEMFEXZVTYGHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NOS/c17-12-6-3-4-10(16(12)18)9-21-15-8-14(20)11-5-1-2-7-13(11)19-15/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one has a molecular weight of 303.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one is sourced from PubChem (CID 23614324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).