ethane;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 hydrogen

C58H69FN10O8S2 — CID 145189612

IUPACethane;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 hydrogen
SMILESCC.CC.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.[H][H].[H][H]
InChIInChI=1S/C27H26FN5O4S.C27H27N5O4S.2C2H6.2H2/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;2*1-2;;/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);2*1-2H3;2*1H
InChIKeyGFFOHRHOYBESNT-UHFFFAOYSA-N
MW1117.38 g/mol
LogP9.67
Rot. Bonds12

About ethane;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 hydrogen

ethane;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 hydrogen (PubChem CID 145189612) has the molecular formula C58H69FN10O8S2 and a molecular weight of 1117.38 g/mol. Its IUPAC name is ethane;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 hydrogen.

Molecular Properties

Compound Nameethane;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 hydrogen
PubChem CID145189612
Molecular FormulaC58H69FN10O8S2
Molecular Weight1117.38 g/mol
Exact Mass1116.47
IUPAC Nameethane;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 hydrogen
SMILESCC.CC.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.[H][H].[H][H]
InChIInChI=1S/C27H26FN5O4S.C27H27N5O4S.2C2H6.2H2/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;2*1-2;;/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);2*1-2H3;2*1H
InChIKeyGFFOHRHOYBESNT-UHFFFAOYSA-N
XLogP9.67
TPSA246.78 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.38
LogP ≤ 59.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze ethane;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 hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;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 hydrogen?
The IUPAC name of ethane;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 hydrogen (CID 145189612) is ethane;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 hydrogen.
What is the SMILES notation for ethane;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 hydrogen?
The canonical SMILES for ethane;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 hydrogen is CC.CC.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.[H][H].[H][H].
What is the InChIKey of ethane;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 hydrogen?
The InChIKey is GFFOHRHOYBESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O4S.C27H27N5O4S.2C2H6.2H2/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;2*1-2;;/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);2*1-2H3;2*1H.
What are the key properties of ethane;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 hydrogen?
ethane;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 hydrogen has a molecular weight of 1117.38 g/mol, XLogP of 9.67, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;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 hydrogen is sourced from PubChem (CID 145189612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).