2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide

C54H53FN10O8S2 — CID 157428483

IUPAC2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2nccn4c(F)c(C)nc24)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2nccn4cc(C)nc24)C3=O)cc1
InChIInChI=1S/C27H26FN5O4S.C27H27N5O4S/c1-4-38(36,37)18-7-5-17(6-8-18)15-22(34)32-21-10-9-19-20(31-21)11-12-27(3,24(19)35)23-26-30-16(2)25(28)33(26)14-13-29-23;1-4-37(35,36)19-7-5-18(6-8-19)15-23(33)31-22-10-9-20-21(30-22)11-12-27(3,25(20)34)24-26-29-17(2)16-32(26)14-13-28-24/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,31,32,34);5-10,13-14,16H,4,11-12,15H2,1-3H3,(H,30,31,33)
InChIKeyBQGAPGOAHIYZBN-UHFFFAOYSA-N
MW1053.21 g/mol
LogP7.13
Rot. Bonds12

About 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide

2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide (PubChem CID 157428483) has the molecular formula C54H53FN10O8S2 and a molecular weight of 1053.21 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
PubChem CID157428483
Molecular FormulaC54H53FN10O8S2
Molecular Weight1053.21 g/mol
Exact Mass1052.35
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2nccn4c(F)c(C)nc24)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2nccn4cc(C)nc24)C3=O)cc1
InChIInChI=1S/C27H26FN5O4S.C27H27N5O4S/c1-4-38(36,37)18-7-5-17(6-8-18)15-22(34)32-21-10-9-19-20(31-21)11-12-27(3,24(19)35)23-26-30-16(2)25(28)33(26)14-13-29-23;1-4-37(35,36)19-7-5-18(6-8-19)15-23(33)31-22-10-9-20-21(30-22)11-12-27(3,25(20)34)24-26-29-17(2)16-32(26)14-13-28-24/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,31,32,34);5-10,13-14,16H,4,11-12,15H2,1-3H3,(H,30,31,33)
InChIKeyBQGAPGOAHIYZBN-UHFFFAOYSA-N
XLogP7.13
TPSA246.78 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.21
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide (CID 157428483) is 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2nccn4c(F)c(C)nc24)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2nccn4cc(C)nc24)C3=O)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?
The InChIKey is BQGAPGOAHIYZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O4S.C27H27N5O4S/c1-4-38(36,37)18-7-5-17(6-8-18)15-22(34)32-21-10-9-19-20(31-21)11-12-27(3,24(19)35)23-26-30-16(2)25(28)33(26)14-13-29-23;1-4-37(35,36)19-7-5-18(6-8-19)15-23(33)31-22-10-9-20-21(30-22)11-12-27(3,25(20)34)24-26-29-17(2)16-32(26)14-13-28-24/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,31,32,34);5-10,13-14,16H,4,11-12,15H2,1-3H3,(H,30,31,33).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide has a molecular weight of 1053.21 g/mol, XLogP of 7.13, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide;2-(4-ethylsulfonylphenyl)-N-[6-methyl-6-(2-methylimidazo[1,2-a]pyrazin-8-yl)-5-oxo-7,8-dihydroquinolin-2-yl]acetamide is sourced from PubChem (CID 157428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).