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

C128H96BrCl12F3N32O26S13 — CID 158293017

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

1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 158293017) has the molecular formula C128H96BrCl12F3N32O26S13 and a molecular weight of 3477.58 g/mol. Its IUPAC name is 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
• PubChem CID: 158293017
• Molecular Formula: C128H96BrCl12F3N32O26S13
• Molecular Weight: 3477.58 g/mol
• Exact Mass: 3467.89
• IUPAC Name: 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
• SMILES: C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)cnc3cc2N1.CCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1cc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C23H19Cl2N5O4S2.C22H19Cl2N5O4S2.C21H14Cl2F3N5O4S2.C21H14Cl2N6O6S3.C21H16Cl2N6O4S2.C20H14BrCl2N5O4S2/c24-17-9-15(28-23(32)29-36(33,34)21-8-7-20(25)35-21)4-6-19(17)30-12-27-18-10-14(26-11-13-1-2-13)3-5-16(18)22(30)31;1-2-9-25-13-3-5-15-17(11-13)26-12-29(21(15)30)18-6-4-14(10-16(18)23)27-22(31)28-35(32,33)20-8-7-19(24)34-20;22-14-7-12(29-20(33)30-37(34,35)18-6-5-17(23)36-18)2-4-16(14)31-10-28-15-8-11(27-9-21(24,25)26)1-3-13(15)19(31)32;1-10-25-15-8-14-12(7-17(15)37(32,33)27-10)20(30)29(9-24-14)16-3-2-11(6-13(16)22)26-21(31)28-38(34,35)19-5-4-18(23)36-19;1-25-19(24)11-2-4-13-15(8-11)26-10-29(20(13)30)16-5-3-12(9-14(16)22)27-21(31)28-35(32,33)18-7-6-17(23)34-18;1-24-15-8-14-11(7-12(15)21)19(29)28(9-25-14)16-3-2-10(6-13(16)22)26-20(30)27-34(31,32)18-5-4-17(23)33-18/h3-10,12-13,26H,1-2,11H2,(H2,28,29,32);3-8,10-12,25H,2,9H2,1H3,(H2,27,28,31);1-8,10,27H,9H2,(H2,29,30,33);2-9H,1H3,(H,25,27)(H2,26,28,31);2-10H,1H3,(H2,24,25)(H2,27,28,31);2-9,24H,1H3,(H2,26,27,30)
• InChIKey: GLOUJAKPNNMESF-UHFFFAOYSA-N
• XLogP: 27.88
• TPSA: 805.99 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 50
• Rotatable Bonds: 34
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3477.58
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	50

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-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?

The IUPAC name of 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 158293017) is 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

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

The canonical SMILES for 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)cnc3cc2N1.CCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1cc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2cc1Br.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.

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

The InChIKey is GLOUJAKPNNMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O4S2.C22H19Cl2N5O4S2.C21H14Cl2F3N5O4S2.C21H14Cl2N6O6S3.C21H16Cl2N6O4S2.C20H14BrCl2N5O4S2/c24-17-9-15(28-23(32)29-36(33,34)21-8-7-20(25)35-21)4-6-19(17)30-12-27-18-10-14(26-11-13-1-2-13)3-5-16(18)22(30)31;1-2-9-25-13-3-5-15-17(11-13)26-12-29(21(15)30)18-6-4-14(10-16(18)23)27-22(31)28-35(32,33)20-8-7-19(24)34-20;22-14-7-12(29-20(33)30-37(34,35)18-6-5-17(23)36-18)2-4-16(14)31-10-28-15-8-11(27-9-21(24,25)26)1-3-13(15)19(31)32;1-10-25-15-8-14-12(7-17(15)37(32,33)27-10)20(30)29(9-24-14)16-3-2-11(6-13(16)22)26-21(31)28-38(34,35)19-5-4-18(23)36-19;1-25-19(24)11-2-4-13-15(8-11)26-10-29(20(13)30)16-5-3-12(9-14(16)22)27-21(31)28-35(32,33)18-7-6-17(23)34-18;1-24-15-8-14-11(7-12(15)21)19(29)28(9-25-14)16-3-2-10(6-13(16)22)26-20(30)27-34(31,32)18-5-4-17(23)33-18/h3-10,12-13,26H,1-2,11H2,(H2,28,29,32);3-8,10-12,25H,2,9H2,1H3,(H2,27,28,31);1-8,10,27H,9H2,(H2,29,30,33);2-9H,1H3,(H,25,27)(H2,26,28,31);2-10H,1H3,(H2,24,25)(H2,27,28,31);2-9,24H,1H3,(H2,26,27,30).

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

1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 3477.58 g/mol, XLogP of 27.88, 34 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-bromo-7-(methylamino)-4-oxoquinazolin-3-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(propylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 158293017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).