N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide

C22H23FN4O5S — CID 50831755

IUPACN-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C22H23FN4O5S/c1-25-19-9-8-15(33(31,32)24-18-7-3-2-6-17(18)23)14-16(19)21(29)27(22(25)30)13-10-20(28)26-11-4-5-12-26/h2-3,6-9,14,24H,4-5,10-13H2,1H3
InChIKeyJXACEQWZRIYPTN-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.65
Rot. Bonds6

About N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide

N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide (PubChem CID 50831755) has the molecular formula C22H23FN4O5S and a molecular weight of 474.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
PubChem CID50831755
Molecular FormulaC22H23FN4O5S
Molecular Weight474.51 g/mol
Exact Mass474.14
IUPAC NameN-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C22H23FN4O5S/c1-25-19-9-8-15(33(31,32)24-18-7-3-2-6-17(18)23)14-16(19)21(29)27(22(25)30)13-10-20(28)26-11-4-5-12-26/h2-3,6-9,14,24H,4-5,10-13H2,1H3
InChIKeyJXACEQWZRIYPTN-UHFFFAOYSA-N
XLogP1.65
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831734
N-(4-fluoro-2-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831872
N-(4-chlorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50832042
N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831994
N-cyclooctyl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 46389273
N-(3-chlorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50832017
N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831736
N-(4-methoxyphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831969
1-methyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 92896391
1-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-2,4-dione
CID 50831845
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974152
3-[2-(azepan-1-yl)-2-oxoethyl]-N-butan-2-yl-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974127

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide (CID 50831755) is N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide is Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc21.
What is the InChIKey of N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?
The InChIKey is JXACEQWZRIYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O5S/c1-25-19-9-8-15(33(31,32)24-18-7-3-2-6-17(18)23)14-16(19)21(29)27(22(25)30)13-10-20(28)26-11-4-5-12-26/h2-3,6-9,14,24H,4-5,10-13H2,1H3.
What are the key properties of N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?
N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide has a molecular weight of 474.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 50831755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).