1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea

C84H74BrCl4N25O20S8 — CID 161059231

About 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea

1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 161059231) has the molecular formula C84H74BrCl4N25O20S8 and a molecular weight of 2231.92 g/mol. Its IUPAC name is 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 161059231
• Molecular Formula: C84H74BrCl4N25O20S8
• Molecular Weight: 2231.92 g/mol
• Exact Mass: 2227.12
• IUPAC Name: 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: CCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CN(C)CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Br.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C22H22ClN7O5S2.C22H19ClN6O5S2.C21H19ClN6O5S2.C19H14BrClN6O5S2/c1-29(2)10-9-24-13-3-5-15-16(11-13)27-22(33)30(20(15)31)18-7-4-14(12-25-18)26-21(32)28-37(34,35)19-8-6-17(23)36-19;23-17-6-8-19(35-17)36(33,34)28-21(31)26-14-4-7-18(25-11-14)29-20(30)15-5-3-13(24-10-12-1-2-12)9-16(15)27-22(29)32;1-2-9-23-12-3-5-14-15(10-12)26-21(31)28(19(14)29)17-7-4-13(11-24-17)25-20(30)27-35(32,33)18-8-6-16(22)34-18;1-22-13-7-12-10(6-11(13)20)17(28)27(19(30)25-12)15-4-2-9(8-23-15)24-18(29)26-34(31,32)16-5-3-14(21)33-16/h3-8,11-12,24H,9-10H2,1-2H3,(H,27,33)(H2,26,28,32);3-9,11-12,24H,1-2,10H2,(H,27,32)(H2,26,28,31);3-8,10-11,23H,2,9H2,1H3,(H,26,31)(H2,25,27,30);2-8,22H,1H3,(H,25,30)(H2,24,26,29)
• InChIKey: UDEDSQGEGJYMDZ-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 623.44 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.92
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea (CID 161059231) is 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea is CCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CN(C)CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Br.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is UDEDSQGEGJYMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O5S2.C22H19ClN6O5S2.C21H19ClN6O5S2.C19H14BrClN6O5S2/c1-29(2)10-9-24-13-3-5-15-16(11-13)27-22(33)30(20(15)31)18-7-4-14(12-25-18)26-21(32)28-37(34,35)19-8-6-17(23)36-19;23-17-6-8-19(35-17)36(33,34)28-21(31)26-14-4-7-18(25-11-14)29-20(30)15-5-3-13(24-10-12-1-2-12)9-16(15)27-22(29)32;1-2-9-23-12-3-5-14-15(10-12)26-21(31)28(19(14)29)17-7-4-13(11-24-17)25-20(30)27-35(32,33)18-8-6-16(22)34-18;1-22-13-7-12-10(6-11(13)20)17(28)27(19(30)25-12)15-4-2-9(8-23-15)24-18(29)26-34(31,32)16-5-3-14(21)33-16/h3-8,11-12,24H,9-10H2,1-2H3,(H,27,33)(H2,26,28,32);3-9,11-12,24H,1-2,10H2,(H,27,32)(H2,26,28,31);3-8,10-11,23H,2,9H2,1H3,(H,26,31)(H2,25,27,30);2-8,22H,1H3,(H,25,30)(H2,24,26,29).

What are the key properties of 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea?

1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2231.92 g/mol, XLogP of 11.62, 27 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[6-bromo-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylmethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 161059231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).