1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea

C126H107Cl6F3N36O24S13 — CID 158204637

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 158204637) has the molecular formula C126H107Cl6F3N36O24S13 and a molecular weight of 3196.05 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 158204637
• Molecular Formula: C126H107Cl6F3N36O24S13
• Molecular Weight: 3196.05 g/mol
• Exact Mass: 3190.27
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1nc2cc(N(C)C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1
• InChI: InChI=1S/C22H19ClN6O4S2.C21H16ClF3N6O4S2.C21H18ClN7O4S2.2C21H19ClN6O4S2.C20H16ClN5O4S3/c1-12-25-17-10-14(26-13-2-3-13)4-6-16(17)21(30)29(12)19-8-5-15(11-24-19)27-22(31)28-35(32,33)20-9-7-18(23)34-20;1-11-28-15-8-12(27-10-21(23,24)25)2-4-14(15)19(32)31(11)17-6-3-13(9-26-17)29-20(33)30-37(34,35)18-7-5-16(22)36-18;1-11-26-15-9-12(19(23)24-2)3-5-14(15)20(30)29(11)17-7-4-13(10-25-17)27-21(31)28-35(32,33)18-8-6-16(22)34-18;1-12-24-16-10-14(27(2)3)5-6-15(16)20(29)28(12)18-8-4-13(11-23-18)25-21(30)26-34(31,32)19-9-7-17(22)33-19;1-3-23-13-4-6-15-16(10-13)25-12(2)28(20(15)29)18-8-5-14(11-24-18)26-21(30)27-34(31,32)19-9-7-17(22)33-19;1-11-23-15-5-4-13(31-2)9-14(15)19(27)26(11)17-7-3-12(10-22-17)24-20(28)25-33(29,30)18-8-6-16(21)32-18/h4-11,13,26H,2-3H2,1H3,(H2,27,28,31);2-9,27H,10H2,1H3,(H2,29,30,33);3-10H,1-2H3,(H2,23,24)(H2,27,28,31);4-11H,1-3H3,(H2,25,26,30);4-11,23H,3H2,1-2H3,(H2,26,27,30);3-10H,1-2H3,(H2,24,25,28)
• InChIKey: GBIQOMLONUDGEP-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 816.01 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 54
• Rotatable Bonds: 33
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3196.05
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea (CID 158204637) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1nc2cc(N(C)C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is GBIQOMLONUDGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O4S2.C21H16ClF3N6O4S2.C21H18ClN7O4S2.2C21H19ClN6O4S2.C20H16ClN5O4S3/c1-12-25-17-10-14(26-13-2-3-13)4-6-16(17)21(30)29(12)19-8-5-15(11-24-19)27-22(31)28-35(32,33)20-9-7-18(23)34-20;1-11-28-15-8-12(27-10-21(23,24)25)2-4-14(15)19(32)31(11)17-6-3-13(9-26-17)29-20(33)30-37(34,35)18-7-5-16(22)36-18;1-11-26-15-9-12(19(23)24-2)3-5-14(15)20(30)29(11)17-7-4-13(10-25-17)27-21(31)28-35(32,33)18-8-6-16(22)34-18;1-12-24-16-10-14(27(2)3)5-6-15(16)20(29)28(12)18-8-4-13(11-23-18)25-21(30)26-34(31,32)19-9-7-17(22)33-19;1-3-23-13-4-6-15-16(10-13)25-12(2)28(20(15)29)18-8-5-14(11-24-18)26-21(30)27-34(31,32)19-9-7-17(22)33-19;1-11-23-15-5-4-13(31-2)9-14(15)19(27)26(11)17-7-3-12(10-22-17)24-20(28)25-33(29,30)18-8-6-16(21)32-18/h4-11,13,26H,2-3H2,1H3,(H2,27,28,31);2-9,27H,10H2,1H3,(H2,29,30,33);3-10H,1-2H3,(H2,23,24)(H2,27,28,31);4-11H,1-3H3,(H2,25,26,30);4-11,23H,3H2,1-2H3,(H2,26,27,30);3-10H,1-2H3,(H2,24,25,28).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 3196.05 g/mol, XLogP of 21.99, 33 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 158204637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).