1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea

C127H98BrCl6F4N25O27S13 — CID 158816007

About 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea

1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (PubChem CID 158816007) has the molecular formula C127H98BrCl6F4N25O27S13 and a molecular weight of 3191.81 g/mol. Its IUPAC name is 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
• PubChem CID: 158816007
• Molecular Formula: C127H98BrCl6F4N25O27S13
• Molecular Weight: 3191.81 g/mol
• Exact Mass: 3185.07
• IUPAC Name: 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea
• SMILES: COOSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1nc2cc(N3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1
• InChI: InChI=1S/C24H22ClN5O4S2.C21H14ClF3N4O4S2.C21H17ClN4O6S3.C21H17ClN4O5S2.C20H14BrClN4O4S2.C20H14ClFN4O4S2/c1-15-26-20-14-18(29-12-2-3-13-29)8-9-19(20)23(31)30(15)17-6-4-16(5-7-17)27-24(32)28-36(33,34)22-11-10-21(25)35-22;1-11-26-16-7-2-12(21(23,24)25)10-15(16)19(30)29(11)14-5-3-13(4-6-14)27-20(31)28-35(32,33)18-9-8-17(22)34-18;1-12-23-17-8-7-15(34-32-31-2)11-16(17)20(27)26(12)14-5-3-13(4-6-14)24-21(28)25-35(29,30)19-10-9-18(22)33-19;1-12-23-17-8-7-15(31-2)11-16(17)20(27)26(12)14-5-3-13(4-6-14)24-21(28)25-33(29,30)19-10-9-18(22)32-19;1-11-23-16-7-2-12(21)10-15(16)19(27)26(11)14-5-3-13(4-6-14)24-20(28)25-32(29,30)18-9-8-17(22)31-18;1-11-23-16-7-2-12(22)10-15(16)19(27)26(11)14-5-3-13(4-6-14)24-20(28)25-32(29,30)18-9-8-17(21)31-18/h4-11,14H,2-3,12-13H2,1H3,(H2,27,28,32);2-10H,1H3,(H2,27,28,31);3-11H,1-2H3,(H2,24,25,28);3-11H,1-2H3,(H2,24,25,28);2*2-10H,1H3,(H2,24,25,28)
• InChIKey: IVGTZROQGLTQLT-UHFFFAOYSA-N
• XLogP: 26.63
• TPSA: 691.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3191.81
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?

The IUPAC name of 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea (CID 158816007) is 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea.

What is the SMILES notation for 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?

The canonical SMILES for 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is COOSc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.COc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1.Cc1nc2cc(N3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.

What is the InChIKey of 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?

The InChIKey is IVGTZROQGLTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S2.C21H14ClF3N4O4S2.C21H17ClN4O6S3.C21H17ClN4O5S2.C20H14BrClN4O4S2.C20H14ClFN4O4S2/c1-15-26-20-14-18(29-12-2-3-13-29)8-9-19(20)23(31)30(15)17-6-4-16(5-7-17)27-24(32)28-36(33,34)22-11-10-21(25)35-22;1-11-26-16-7-2-12(21(23,24)25)10-15(16)19(30)29(11)14-5-3-13(4-6-14)27-20(31)28-35(32,33)18-9-8-17(22)34-18;1-12-23-17-8-7-15(34-32-31-2)11-16(17)20(27)26(12)14-5-3-13(4-6-14)24-21(28)25-35(29,30)19-10-9-18(22)33-19;1-12-23-17-8-7-15(31-2)11-16(17)20(27)26(12)14-5-3-13(4-6-14)24-21(28)25-33(29,30)19-10-9-18(22)32-19;1-11-23-16-7-2-12(21)10-15(16)19(27)26(11)14-5-3-13(4-6-14)24-20(28)25-32(29,30)18-9-8-17(22)31-18;1-11-23-16-7-2-12(22)10-15(16)19(27)26(11)14-5-3-13(4-6-14)24-20(28)25-32(29,30)18-9-8-17(21)31-18/h4-11,14H,2-3,12-13H2,1H3,(H2,27,28,32);2-10H,1H3,(H2,27,28,31);3-11H,1-2H3,(H2,24,25,28);3-11H,1-2H3,(H2,24,25,28);2*2-10H,1H3,(H2,24,25,28).

What are the key properties of 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea?

1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea has a molecular weight of 3191.81 g/mol, XLogP of 26.63, 29 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 158816007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).