2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one

C15H11FN2O3S — CID 168553310

IUPAC2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C15H11FN2O3S/c1-22(20,21)9-6-7-10(12(16)8-9)14-17-13-5-3-2-4-11(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyQCPFEUQYFLMPSJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one

2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one (PubChem CID 168553310) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
PubChem CID168553310
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C15H11FN2O3S/c1-22(20,21)9-6-7-10(12(16)8-9)14-17-13-5-3-2-4-11(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
InChIKeyQCPFEUQYFLMPSJ-UHFFFAOYSA-N
XLogP2.13
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonyl-2-nitrophenyl)-3H-quinazolin-4-one
CID 168553037
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136751588
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
2-[2-(benzenesulfonyl)-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551606
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 75391029
[2-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate
CID 168552318

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one (CID 168553310) is 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one is CS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one?
The InChIKey is QCPFEUQYFLMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c1-22(20,21)9-6-7-10(12(16)8-9)14-17-13-5-3-2-4-11(13)15(19)18-14/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one?
2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one has a molecular weight of 318.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).