5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one

C134H135Cl3N38O13S2 — CID 160734569

IUPAC5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccc(N3CCNCC3)cc2)nc2ccc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2c(Cl)cc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2cc(Cl)c(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2ccc(-c3cn[nH]c3)c(Cl)c21.Cn1c(=O)c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)c2)nc2ccc(-c3cn[nH]c3)cc21
InChIInChI=1S/C23H25N7O3S.C23H24N6O3S.3C22H21ClN6O2.C22H23N7O/c1-28-21-12-16(17-14-24-25-15-17)6-7-20(21)27-22(23(28)31)26-18-4-3-5-19(13-18)29-8-10-30(11-9-29)34(2,32)33;1-28-21-13-16(17-14-24-25-15-17)5-10-20(21)27-22(23(28)30)26-18-6-8-19(9-7-18)33(31,32)29-11-3-2-4-12-29;1-28-20-10-17(14-12-24-25-13-14)18(23)11-19(20)27-21(22(28)30)26-15-2-4-16(5-3-15)29-6-8-31-9-7-29;1-28-19-11-14(15-12-24-25-13-15)10-18(23)20(19)27-21(22(28)30)26-16-2-4-17(5-3-16)29-6-8-31-9-7-29;1-28-20-18(7-6-17(19(20)23)14-12-24-25-13-14)27-21(22(28)30)26-15-2-4-16(5-3-15)29-8-10-31-11-9-29;1-28-20-12-15(16-13-24-25-14-16)2-7-19(20)27-21(22(28)30)26-17-3-5-18(6-4-17)29-10-8-23-9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,24,25)(H,26,27);5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,27);2*2-5,10-13H,6-9H2,1H3,(H,24,25)(H,26,27);2-7,12-13H,8-11H2,1H3,(H,24,25)(H,26,27);2-7,12-14,23H,8-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyRUTZJPSAQHATFS-UHFFFAOYSA-N
MW2656.30 g/mol
LogP18.54
Rot. Bonds26

About 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one

5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one (PubChem CID 160734569) has the molecular formula C134H135Cl3N38O13S2 and a molecular weight of 2656.30 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
PubChem CID160734569
Molecular FormulaC134H135Cl3N38O13S2
Molecular Weight2656.30 g/mol
Exact Mass2652.96
IUPAC Name5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccc(N3CCNCC3)cc2)nc2ccc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2c(Cl)cc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2cc(Cl)c(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2ccc(-c3cn[nH]c3)c(Cl)c21.Cn1c(=O)c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)c2)nc2ccc(-c3cn[nH]c3)cc21
InChIInChI=1S/C23H25N7O3S.C23H24N6O3S.3C22H21ClN6O2.C22H23N7O/c1-28-21-12-16(17-14-24-25-15-17)6-7-20(21)27-22(23(28)31)26-18-4-3-5-19(13-18)29-8-10-30(11-9-29)34(2,32)33;1-28-21-13-16(17-14-24-25-15-17)5-10-20(21)27-22(23(28)30)26-18-6-8-19(9-7-18)33(31,32)29-11-3-2-4-12-29;1-28-20-10-17(14-12-24-25-13-14)18(23)11-19(20)27-21(22(28)30)26-15-2-4-16(5-3-15)29-6-8-31-9-7-29;1-28-19-11-14(15-12-24-25-13-15)10-18(23)20(19)27-21(22(28)30)26-16-2-4-17(5-3-16)29-6-8-31-9-7-29;1-28-20-18(7-6-17(19(20)23)14-12-24-25-13-14)27-21(22(28)30)26-15-2-4-16(5-3-15)29-8-10-31-11-9-29;1-28-20-12-15(16-13-24-25-14-16)2-7-19(20)27-21(22(28)30)26-17-3-5-18(6-4-17)29-10-8-23-9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,24,25)(H,26,27);5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,27);2*2-5,10-13H,6-9H2,1H3,(H,24,25)(H,26,27);2-7,12-13H,8-11H2,1H3,(H,24,25)(H,26,27);2-7,12-14,23H,8-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyRUTZJPSAQHATFS-UHFFFAOYSA-N
XLogP18.54
TPSA584.28 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds26
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002656.30
LogP ≤ 518.54
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one 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 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
The IUPAC name of 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one (CID 160734569) is 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one is Cn1c(=O)c(Nc2ccc(N3CCNCC3)cc2)nc2ccc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2c(Cl)cc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2cc(Cl)c(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2ccc(N3CCOCC3)cc2)nc2ccc(-c3cn[nH]c3)c(Cl)c21.Cn1c(=O)c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccc(-c3cn[nH]c3)cc21.Cn1c(=O)c(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)c2)nc2ccc(-c3cn[nH]c3)cc21.
What is the InChIKey of 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
The InChIKey is RUTZJPSAQHATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S.C23H24N6O3S.3C22H21ClN6O2.C22H23N7O/c1-28-21-12-16(17-14-24-25-15-17)6-7-20(21)27-22(23(28)31)26-18-4-3-5-19(13-18)29-8-10-30(11-9-29)34(2,32)33;1-28-21-13-16(17-14-24-25-15-17)5-10-20(21)27-22(23(28)30)26-18-6-8-19(9-7-18)33(31,32)29-11-3-2-4-12-29;1-28-20-10-17(14-12-24-25-13-14)18(23)11-19(20)27-21(22(28)30)26-15-2-4-16(5-3-15)29-6-8-31-9-7-29;1-28-19-11-14(15-12-24-25-13-15)10-18(23)20(19)27-21(22(28)30)26-16-2-4-17(5-3-16)29-6-8-31-9-7-29;1-28-20-18(7-6-17(19(20)23)14-12-24-25-13-14)27-21(22(28)30)26-15-2-4-16(5-3-15)29-8-10-31-11-9-29;1-28-20-12-15(16-13-24-25-14-16)2-7-19(20)27-21(22(28)30)26-17-3-5-18(6-4-17)29-10-8-23-9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,24,25)(H,26,27);5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,27);2*2-5,10-13H,6-9H2,1H3,(H,24,25)(H,26,27);2-7,12-13H,8-11H2,1H3,(H,24,25)(H,26,27);2-7,12-14,23H,8-11H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one has a molecular weight of 2656.30 g/mol, XLogP of 18.54, 26 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one is sourced from PubChem (CID 160734569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).