N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide

C121H123F5N20O16S3 — CID 159249940

IUPACN-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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)cc2n1-c1ccc(F)cc1.CC(C)N(C)c1nc2cc(C(=O)NS(C)(=O)=O)ccc2nc1-c1ccc(F)cc1.CNS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.O=C(O)c1ccc2c(c1)cc(N1CCCCC1)n2-c1cc2ccccc2o1
InChIInChI=1S/C22H20N2O3.C21H21FN4O2.2C20H21FN4O3S.C19H21FN4O2S.C19H19FN2O3/c25-22(26)16-8-9-18-17(12-16)13-20(23-10-4-1-5-11-23)24(18)21-14-15-6-2-3-7-19(15)27-21;1-12(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;1-12(2)24(4)19-18(13-5-7-14(20)8-6-13)22-16-10-9-15(11-17(16)23-19)27(25,26)21-3;1-11(2)21(3)18-9-12-8-15(19(24)25)17(23)10-16(12)22(18)14-6-4-13(20)5-7-14/h2-3,6-9,12-14H,1,4-5,10-11H2,(H,25,26);5-12H,1-4H3,(H,23,27,28);2*5-12H,1-4H3,(H,24,26);5-12,21H,1-4H3;4-11,23H,1-3H3,(H,24,25)
InChIKeyKVDVYGDFPDIEMK-UHFFFAOYSA-N
MW2304.63 g/mol
LogP21.90
Rot. Bonds26

About N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide (PubChem CID 159249940) has the molecular formula C121H123F5N20O16S3 and a molecular weight of 2304.63 g/mol. Its IUPAC name is N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide
PubChem CID159249940
Molecular FormulaC121H123F5N20O16S3
Molecular Weight2304.63 g/mol
Exact Mass2302.85
IUPAC NameN-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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)cc2n1-c1ccc(F)cc1.CC(C)N(C)c1nc2cc(C(=O)NS(C)(=O)=O)ccc2nc1-c1ccc(F)cc1.CNS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.O=C(O)c1ccc2c(c1)cc(N1CCCCC1)n2-c1cc2ccccc2o1
InChIInChI=1S/C22H20N2O3.C21H21FN4O2.2C20H21FN4O3S.C19H21FN4O2S.C19H19FN2O3/c25-22(26)16-8-9-18-17(12-16)13-20(23-10-4-1-5-11-23)24(18)21-14-15-6-2-3-7-19(15)27-21;1-12(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;1-12(2)24(4)19-18(13-5-7-14(20)8-6-13)22-16-10-9-15(11-17(16)23-19)27(25,26)21-3;1-11(2)21(3)18-9-12-8-15(19(24)25)17(23)10-16(12)22(18)14-6-4-13(20)5-7-14/h2-3,6-9,12-14H,1,4-5,10-11H2,(H,25,26);5-12H,1-4H3,(H,23,27,28);2*5-12H,1-4H3,(H,24,26);5-12,21H,1-4H3;4-11,23H,1-3H3,(H,24,25)
InChIKeyKVDVYGDFPDIEMK-UHFFFAOYSA-N
XLogP21.90
TPSA459.21 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.63
LogP ≤ 521.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide (CID 159249940) is N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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)cc2n1-c1ccc(F)cc1.CC(C)N(C)c1nc2cc(C(=O)NS(C)(=O)=O)ccc2nc1-c1ccc(F)cc1.CNS(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C(C)C)nc2c1.O=C(O)c1ccc2c(c1)cc(N1CCCCC1)n2-c1cc2ccccc2o1.
What is the InChIKey of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide?
The InChIKey is KVDVYGDFPDIEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3.C21H21FN4O2.2C20H21FN4O3S.C19H21FN4O2S.C19H19FN2O3/c25-22(26)16-8-9-18-17(12-16)13-20(23-10-4-1-5-11-23)24(18)21-14-15-6-2-3-7-19(15)27-21;1-12(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;1-12(2)24(4)19-18(13-5-7-14(20)8-6-13)22-16-10-9-15(11-17(16)23-19)27(25,26)21-3;1-11(2)21(3)18-9-12-8-15(19(24)25)17(23)10-16(12)22(18)14-6-4-13(20)5-7-14/h2-3,6-9,12-14H,1,4-5,10-11H2,(H,25,26);5-12H,1-4H3,(H,23,27,28);2*5-12H,1-4H3,(H,24,26);5-12,21H,1-4H3;4-11,23H,1-3H3,(H,24,25).
What are the key properties of N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide has a molecular weight of 2304.63 g/mol, XLogP of 21.90, 26 rotatable bonds, 7 hydrogen bond donors, and 30 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;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide is sourced from PubChem (CID 159249940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).