N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide

C97H96F5N19O14S3 — CID 158865247

IUPACN-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide
SMILESCC(=O)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.CC(=O)NS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.CC(C)N(C)c1cc2cc(C(=O)O)c(=O)[nH]c2n1-c1ccc(F)cc1.CC(C)N(C)c1nc2cc(C(=O)NS(C)(=O)=O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cc2cc(F)ccc2o1
InChIInChI=1S/C21H21FN4O2.2C20H21FN4O3S.C18H15FN4O3S.C18H18FN3O3/c1-12(2)26(4)20-19(14-5-8-16(22)9-6-14)24-17-10-7-15(11-18(17)25-20)21(28)23-13(3)27;1-12(2)25(3)19-18(13-5-8-15(21)9-6-13)22-16-10-7-14(11-17(16)23-19)20(26)24-29(4,27)28;1-12(2)25(4)20-19(14-5-7-15(21)8-6-14)22-17-10-9-16(11-18(17)23-20)29(27,28)24-13(3)26;1-8(2)23(3)15-13(12-7-9-6-10(19)4-5-11(9)26-12)20-14-16(22-15)27-17(21-14)18(24)25;1-10(2)21(3)15-9-11-8-14(18(24)25)17(23)20-16(11)22(15)13-6-4-12(19)5-7-13/h5-12H,1-4H3,(H,23,27,28);2*5-12H,1-4H3,(H,24,26);4-8H,1-3H3,(H,24,25);4-10H,1-3H3,(H,20,23)(H,24,25)
InChIKeyJBDMXSLIEQULEX-UHFFFAOYSA-N
MW1943.14 g/mol
LogP16.81
Rot. Bonds22

About N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide

N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide (PubChem CID 158865247) has the molecular formula C97H96F5N19O14S3 and a molecular weight of 1943.14 g/mol. Its IUPAC name is N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide
PubChem CID158865247
Molecular FormulaC97H96F5N19O14S3
Molecular Weight1943.14 g/mol
Exact Mass1941.65
IUPAC NameN-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide
SMILESCC(=O)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.CC(=O)NS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.CC(C)N(C)c1cc2cc(C(=O)O)c(=O)[nH]c2n1-c1ccc(F)cc1.CC(C)N(C)c1nc2cc(C(=O)NS(C)(=O)=O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cc2cc(F)ccc2o1
InChIInChI=1S/C21H21FN4O2.2C20H21FN4O3S.C18H15FN4O3S.C18H18FN3O3/c1-12(2)26(4)20-19(14-5-8-16(22)9-6-14)24-17-10-7-15(11-18(17)25-20)21(28)23-13(3)27;1-12(2)25(3)19-18(13-5-8-15(21)9-6-13)22-16-10-7-14(11-17(16)23-19)20(26)24-29(4,27)28;1-12(2)25(4)20-19(14-5-7-15(21)8-6-14)22-17-10-9-16(11-18(17)23-20)29(27,28)24-13(3)26;1-8(2)23(3)15-13(12-7-9-6-10(19)4-5-11(9)26-12)20-14-16(22-15)27-17(21-14)18(24)25;1-10(2)21(3)15-9-11-8-14(18(24)25)17(23)20-16(11)22(15)13-6-4-12(19)5-7-13/h5-12H,1-4H3,(H,23,27,28);2*5-12H,1-4H3,(H,24,26);4-8H,1-3H3,(H,24,25);4-10H,1-3H3,(H,20,23)(H,24,25)
InChIKeyJBDMXSLIEQULEX-UHFFFAOYSA-N
XLogP16.81
TPSA430.39 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001943.14
LogP ≤ 516.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide?
The IUPAC name of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide (CID 158865247) is N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide.
What is the SMILES notation for N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide?
The canonical SMILES for N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide is CC(=O)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.CC(=O)NS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.CC(C)N(C)c1cc2cc(C(=O)O)c(=O)[nH]c2n1-c1ccc(F)cc1.CC(C)N(C)c1nc2cc(C(=O)NS(C)(=O)=O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cc2cc(F)ccc2o1.
What is the InChIKey of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide?
The InChIKey is JBDMXSLIEQULEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2.2C20H21FN4O3S.C18H15FN4O3S.C18H18FN3O3/c1-12(2)26(4)20-19(14-5-8-16(22)9-6-14)24-17-10-7-15(11-18(17)25-20)21(28)23-13(3)27;1-12(2)25(3)19-18(13-5-8-15(21)9-6-13)22-16-10-7-14(11-17(16)23-19)20(26)24-29(4,27)28;1-12(2)25(4)20-19(14-5-7-15(21)8-6-14)22-17-10-9-16(11-18(17)23-20)29(27,28)24-13(3)26;1-8(2)23(3)15-13(12-7-9-6-10(19)4-5-11(9)26-12)20-14-16(22-15)27-17(21-14)18(24)25;1-10(2)21(3)15-9-11-8-14(18(24)25)17(23)20-16(11)22(15)13-6-4-12(19)5-7-13/h5-12H,1-4H3,(H,23,27,28);2*5-12H,1-4H3,(H,24,26);4-8H,1-3H3,(H,24,25);4-10H,1-3H3,(H,20,23)(H,24,25).
What are the key properties of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide?
N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide has a molecular weight of 1943.14 g/mol, XLogP of 16.81, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;5-(5-fluoro-1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;1-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]-6-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide is sourced from PubChem (CID 158865247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).