3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C73H74F2N18O10S — CID 157453857

IUPAC3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1F.COc1cc(OC)cc(N(CC(=O)Nc2cc(C)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C28H27N7O3.C23H23F2N5O3.C22H24N6O4S/c1-18-7-8-29-27(9-18)33-28(36)17-35(21-10-22(37-3)13-23(11-21)38-4)20-5-6-24-25(12-20)32-26(15-30-24)19-14-31-34(2)16-19;1-29-13-14(11-27-29)18-12-26-16-6-5-15(9-17(16)28-18)30(7-4-8-31)23-21(24)19(32-2)10-20(33-3)22(23)25;1-26(2)33(29,30)28(17-8-18(31-4)11-19(9-17)32-5)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-27(3)14-15/h5-16H,17H2,1-4H3,(H,29,33,36);5-6,9-13,31H,4,7-8H2,1-3H3;6-14H,1-5H3
InChIKeyBTCRKFQEIJAMJE-UHFFFAOYSA-N
MW1433.57 g/mol
LogP11.37
Rot. Bonds23

About 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 157453857) has the molecular formula C73H74F2N18O10S and a molecular weight of 1433.57 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID157453857
Molecular FormulaC73H74F2N18O10S
Molecular Weight1433.57 g/mol
Exact Mass1432.55
IUPAC Name3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1F.COc1cc(OC)cc(N(CC(=O)Nc2cc(C)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C28H27N7O3.C23H23F2N5O3.C22H24N6O4S/c1-18-7-8-29-27(9-18)33-28(36)17-35(21-10-22(37-3)13-23(11-21)38-4)20-5-6-24-25(12-20)32-26(15-30-24)19-14-31-34(2)16-19;1-29-13-14(11-27-29)18-12-26-16-6-5-15(9-17(16)28-18)30(7-4-8-31)23-21(24)19(32-2)10-20(33-3)22(23)25;1-26(2)33(29,30)28(17-8-18(31-4)11-19(9-17)32-5)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-27(3)14-15/h5-16H,17H2,1-4H3,(H,29,33,36);5-6,9-13,31H,4,7-8H2,1-3H3;6-14H,1-5H3
InChIKeyBTCRKFQEIJAMJE-UHFFFAOYSA-N
XLogP11.37
TPSA295.50 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.57
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 157453857) is 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1F.COc1cc(OC)cc(N(CC(=O)Nc2cc(C)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is BTCRKFQEIJAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3.C23H23F2N5O3.C22H24N6O4S/c1-18-7-8-29-27(9-18)33-28(36)17-35(21-10-22(37-3)13-23(11-21)38-4)20-5-6-24-25(12-20)32-26(15-30-24)19-14-31-34(2)16-19;1-29-13-14(11-27-29)18-12-26-16-6-5-15(9-17(16)28-18)30(7-4-8-31)23-21(24)19(32-2)10-20(33-3)22(23)25;1-26(2)33(29,30)28(17-8-18(31-4)11-19(9-17)32-5)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-27(3)14-15/h5-16H,17H2,1-4H3,(H,29,33,36);5-6,9-13,31H,4,7-8H2,1-3H3;6-14H,1-5H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 1433.57 g/mol, XLogP of 11.37, 23 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(4-methyl-2-pyridinyl)acetamide;N-(3,5-dimethoxyphenyl)-N-(dimethylsulfamoyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 157453857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).