2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H19FN4O6S — CID 55666399

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19FN4O6S/c21-15-6-5-13(11-17(15)32(29,30)24-7-9-31-10-8-24)22-18(26)12-25-19(27)14-3-1-2-4-16(14)23-20(25)28/h1-6,11H,7-10,12H2,(H,22,26)(H,23,28)
InChIKeyICIBPGMXPZTYCA-UHFFFAOYSA-N
MW462.46 g/mol
LogP0.49
Rot. Bonds5

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 55666399) has the molecular formula C20H19FN4O6S and a molecular weight of 462.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID55666399
Molecular FormulaC20H19FN4O6S
Molecular Weight462.46 g/mol
Exact Mass462.10
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19FN4O6S/c21-15-6-5-13(11-17(15)32(29,30)24-7-9-31-10-8-24)22-18(26)12-25-19(27)14-3-1-2-4-16(14)23-20(25)28/h1-6,11H,7-10,12H2,(H,22,26)(H,23,28)
InChIKeyICIBPGMXPZTYCA-UHFFFAOYSA-N
XLogP0.49
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55600588
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 98599209
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
CID 55605507
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17447457
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55923829
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)-2-methylpropanamide
CID 60619156

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 55666399) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is ICIBPGMXPZTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O6S/c21-15-6-5-13(11-17(15)32(29,30)24-7-9-31-10-8-24)22-18(26)12-25-19(27)14-3-1-2-4-16(14)23-20(25)28/h1-6,11H,7-10,12H2,(H,22,26)(H,23,28).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 462.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55666399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).