2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide

C19H17F2N3O4S — CID 71703290

IUPAC2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O4S/c1-12-23-17-7-4-14(21)10-16(17)19(26)24(12)11-18(25)22-8-9-29(27,28)15-5-2-13(20)3-6-15/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyXMMKGWAOJTZTFZ-UHFFFAOYSA-N
MW421.43 g/mol
LogP1.57
Rot. Bonds6

About 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide

2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide (PubChem CID 71703290) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
PubChem CID71703290
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O4S/c1-12-23-17-7-4-14(21)10-16(17)19(26)24(12)11-18(25)22-8-9-29(27,28)15-5-2-13(20)3-6-15/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyXMMKGWAOJTZTFZ-UHFFFAOYSA-N
XLogP1.57
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide (CID 71703290) is 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide is Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The InChIKey is XMMKGWAOJTZTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c1-12-23-17-7-4-14(21)10-16(17)19(26)24(12)11-18(25)22-8-9-29(27,28)15-5-2-13(20)3-6-15/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide has a molecular weight of 421.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 71703290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).