2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one

C8H5F5N2OS — CID 175691752

IUPAC2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(S(F)(F)(F)(F)F)nc2ccccc12
InChIInChI=1S/C8H5F5N2OS/c9-17(10,11,12,13)8-14-6-4-2-1-3-5(6)7(16)15-8/h1-4H,(H,14,15,16)
InChIKeyJBNFXRHGLHZHPF-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.58
Rot. Bonds1

About 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one

2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one (PubChem CID 175691752) has the molecular formula C8H5F5N2OS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one
PubChem CID175691752
Molecular FormulaC8H5F5N2OS
Molecular Weight272.20 g/mol
Exact Mass272.00
IUPAC Name2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(S(F)(F)(F)(F)F)nc2ccccc12
InChIInChI=1S/C8H5F5N2OS/c9-17(10,11,12,13)8-14-6-4-2-1-3-5(6)7(16)15-8/h1-4H,(H,14,15,16)
InChIKeyJBNFXRHGLHZHPF-UHFFFAOYSA-N
XLogP3.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-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

Related Compounds

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one
CID 137222903
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-ethylsulfonyl-3H-quinazolin-4-one
CID 135760560
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
2-amino-3H-quinazolin-4-one;methanedithioic acid
CID 175778802
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827

Frequently Asked Questions

What is the IUPAC name of 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one (CID 175691752) is 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one is O=c1[nH]c(S(F)(F)(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one?
The InChIKey is JBNFXRHGLHZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2OS/c9-17(10,11,12,13)8-14-6-4-2-1-3-5(6)7(16)15-8/h1-4H,(H,14,15,16).
What are the key properties of 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one?
2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one has a molecular weight of 272.20 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one is sourced from PubChem (CID 175691752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).