1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

C120H107Cl10N29O26S10 — CID 157133844

About 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 157133844) has the molecular formula C120H107Cl10N29O26S10 and a molecular weight of 3046.55 g/mol. Its IUPAC name is 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
• PubChem CID: 157133844
• Molecular Formula: C120H107Cl10N29O26S10
• Molecular Weight: 3046.55 g/mol
• Exact Mass: 3039.20
• IUPAC Name: 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
• SMILES: CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc4c(cc3c2=O)CCN4)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H26Cl2N6O5S2.C25H24Cl2N6O6S2.C25H24Cl2N6O5S2.C23H18Cl2N6O5S2.C21H15Cl2N5O5S2/c27-19-14-17(30-25(36)32-41(38,39)23-9-8-22(28)40-23)5-7-21(19)34-24(35)18-6-4-16(15-20(18)31-26(34)37)29-10-13-33-11-2-1-3-12-33;26-18-13-16(29-24(35)31-41(37,38)22-6-5-21(27)40-22)2-4-20(18)33-23(34)17-3-1-15(14-19(17)30-25(33)36)28-7-8-32-9-11-39-12-10-32;26-18-13-16(29-24(35)31-40(37,38)22-8-7-21(27)39-22)4-6-20(18)33-23(34)17-5-3-15(14-19(17)30-25(33)36)28-9-12-32-10-1-2-11-32;1-30-9-8-26-20(30)12-2-4-14-16(10-12)28-23(34)31(21(14)32)17-5-3-13(11-15(17)24)27-22(33)29-38(35,36)19-7-6-18(25)37-19;22-13-8-11(25-20(30)27-35(32,33)18-4-3-17(23)34-18)1-2-16(13)28-19(29)12-7-10-5-6-24-14(10)9-15(12)26-21(28)31/h4-9,14-15,29H,1-3,10-13H2,(H,31,37)(H2,30,32,36);1-6,13-14,28H,7-12H2,(H,30,36)(H2,29,31,35);3-8,13-14,28H,1-2,9-12H2,(H,30,36)(H2,29,31,35);2-7,10-11H,8-9H2,1H3,(H,28,34)(H2,27,29,33);1-4,7-9,24H,5-6H2,(H,26,31)(H2,25,27,30)
• InChIKey: AJJROTHECMGWDI-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 733.32 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3046.55
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?

The IUPAC name of 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 157133844) is 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

What is the SMILES notation for 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?

The canonical SMILES for 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc4c(cc3c2=O)CCN4)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?

The InChIKey is AJJROTHECMGWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O5S2.C25H24Cl2N6O6S2.C25H24Cl2N6O5S2.C23H18Cl2N6O5S2.C21H15Cl2N5O5S2/c27-19-14-17(30-25(36)32-41(38,39)23-9-8-22(28)40-23)5-7-21(19)34-24(35)18-6-4-16(15-20(18)31-26(34)37)29-10-13-33-11-2-1-3-12-33;26-18-13-16(29-24(35)31-41(37,38)22-6-5-21(27)40-22)2-4-20(18)33-23(34)17-3-1-15(14-19(17)30-25(33)36)28-7-8-32-9-11-39-12-10-32;26-18-13-16(29-24(35)31-40(37,38)22-8-7-21(27)39-22)4-6-20(18)33-23(34)17-5-3-15(14-19(17)30-25(33)36)28-9-12-32-10-1-2-11-32;1-30-9-8-26-20(30)12-2-4-14-16(10-12)28-23(34)31(21(14)32)17-5-3-13(11-15(17)24)27-22(33)29-38(35,36)19-7-6-18(25)37-19;22-13-8-11(25-20(30)27-35(32,33)18-4-3-17(23)34-18)1-2-16(13)28-19(29)12-7-10-5-6-24-14(10)9-15(12)26-21(28)31/h4-9,14-15,29H,1-3,10-13H2,(H,31,37)(H2,30,32,36);1-6,13-14,28H,7-12H2,(H,30,36)(H2,29,31,35);3-8,13-14,28H,1-2,9-12H2,(H,30,36)(H2,29,31,35);2-7,10-11H,8-9H2,1H3,(H,28,34)(H2,27,29,33);1-4,7-9,24H,5-6H2,(H,26,31)(H2,25,27,30).

What are the key properties of 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?

1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 3046.55 g/mol, XLogP of 18.60, 33 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-[2,4-dioxo-7-(2-piperidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 157133844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).