1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea

C110H90Cl6F3N27O22S11 — CID 157490122

About 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea

1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea (PubChem CID 157490122) has the molecular formula C110H90Cl6F3N27O22S11 and a molecular weight of 2764.55 g/mol. Its IUPAC name is 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea
• PubChem CID: 157490122
• Molecular Formula: C110H90Cl6F3N27O22S11
• Molecular Weight: 2764.55 g/mol
• Exact Mass: 2759.18
• IUPAC Name: 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea
• SMILES: C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(C)nc3cc2N1.CNc1cc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1Cl.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1
• InChI: InChI=1S/C23H20ClN5O4S2.C22H17ClF3N5O4S2.C22H17ClN6O6S3.C22H19ClN6O4S2.C21H17Cl2N5O4S2/c1-13-25-19-12-16(26-14-2-3-14)6-9-18(19)22(30)29(13)17-7-4-15(5-8-17)27-23(31)28-35(32,33)21-11-10-20(24)34-21;1-12-28-17-10-14(27-11-22(24,25)26)4-7-16(17)20(32)31(12)15-5-2-13(3-6-15)29-21(33)30-37(34,35)19-9-8-18(23)36-19;1-11-24-17-10-16-15(9-18(17)37(32,33)27-11)21(30)29(12(2)25-16)14-5-3-13(4-6-14)26-22(31)28-38(34,35)20-8-7-19(23)36-20;1-12-26-17-11-13(20(24)25-2)3-8-16(17)21(30)29(12)15-6-4-14(5-7-15)27-22(31)28-35(32,33)19-10-9-18(23)34-19;1-11-25-16-10-17(24-2)15(22)9-14(16)20(29)28(11)13-5-3-12(4-6-13)26-21(30)27-34(31,32)19-8-7-18(23)33-19/h4-12,14,26H,2-3H2,1H3,(H2,27,28,31);2-10,27H,11H2,1H3,(H2,29,30,33);3-10H,1-2H3,(H,24,27)(H2,26,28,31);3-11H,1-2H3,(H2,24,25)(H2,27,28,31);3-10,24H,1-2H3,(H2,26,27,30)
• InChIKey: BXECCYPEJSYGSV-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 683.80 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2764.55
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

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-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?

The IUPAC name of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea (CID 157490122) is 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea.

What is the SMILES notation for 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?

The canonical SMILES for 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(C)nc3cc2N1.CNc1cc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1Cl.Cc1nc2cc(NC3CC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.Cc1nc2cc(NCC(F)(F)F)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.

What is the InChIKey of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?

The InChIKey is BXECCYPEJSYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S2.C22H17ClF3N5O4S2.C22H17ClN6O6S3.C22H19ClN6O4S2.C21H17Cl2N5O4S2/c1-13-25-19-12-16(26-14-2-3-14)6-9-18(19)22(30)29(13)17-7-4-15(5-8-17)27-23(31)28-35(32,33)21-11-10-20(24)34-21;1-12-28-17-10-14(27-11-22(24,25)26)4-7-16(17)20(32)31(12)15-5-2-13(3-6-15)29-21(33)30-37(34,35)19-9-8-18(23)36-19;1-11-24-17-10-16-15(9-18(17)37(32,33)27-11)21(30)29(12(2)25-16)14-5-3-13(4-6-14)26-22(31)28-38(34,35)20-8-7-19(23)36-20;1-12-26-17-11-13(20(24)25-2)3-8-16(17)21(30)29(12)15-6-4-14(5-7-15)27-22(31)28-35(32,33)19-10-9-18(23)34-19;1-11-25-16-10-17(24-2)15(22)9-14(16)20(29)28(11)13-5-3-12(4-6-13)26-21(30)27-34(31,32)19-8-7-18(23)33-19/h4-12,14,26H,2-3H2,1H3,(H2,27,28,31);2-10,27H,11H2,1H3,(H2,29,30,33);3-10H,1-2H3,(H,24,27)(H2,26,28,31);3-11H,1-2H3,(H2,24,25)(H2,27,28,31);3-10,24H,1-2H3,(H2,26,27,30).

What are the key properties of 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea?

1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea has a molecular weight of 2764.55 g/mol, XLogP of 20.71, 26 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 157490122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).