1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea

C90H81Cl4N27O21S8 — CID 158743516

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

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 158743516) has the molecular formula C90H81Cl4N27O21S8 and a molecular weight of 2275.15 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 158743516
• Molecular Formula: C90H81Cl4N27O21S8
• Molecular Weight: 2275.15 g/mol
• Exact Mass: 2271.26
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc4c(cc3c2=O)CCN4)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C24H24ClN7O6S2.C24H24ClN7O5S2.C22H18ClN7O5S2.C20H15ClN6O5S2/c25-19-4-6-21(39-19)40(36,37)30-23(34)28-16-2-5-20(27-14-16)32-22(33)17-3-1-15(13-18(17)29-24(32)35)26-7-8-31-9-11-38-12-10-31;25-19-6-8-21(38-19)39(36,37)30-23(34)28-16-4-7-20(27-14-16)32-22(33)17-5-3-15(13-18(17)29-24(32)35)26-9-12-31-10-1-2-11-31;1-29-9-8-24-19(29)12-2-4-14-15(10-12)27-22(33)30(20(14)31)17-6-3-13(11-25-17)26-21(32)28-37(34,35)18-7-5-16(23)36-18;21-15-2-4-17(33-15)34(31,32)26-19(29)24-11-1-3-16(23-9-11)27-18(28)12-7-10-5-6-22-13(10)8-14(12)25-20(27)30/h1-6,13-14,26H,7-12H2,(H,29,35)(H2,28,30,34);3-8,13-14,26H,1-2,9-12H2,(H,29,35)(H2,28,30,34);2-7,10-11H,8-9H2,1H3,(H,27,33)(H2,26,28,32);1-4,7-9,22H,5-6H2,(H,25,30)(H2,24,26,29)
• InChIKey: IMPFVHJCGZTMFL-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 639.48 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2275.15
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea (CID 158743516) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea is CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc4c(cc3c2=O)CCN4)nc1)NS(=O)(=O)c1ccc(Cl)s1.

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

The InChIKey is IMPFVHJCGZTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O6S2.C24H24ClN7O5S2.C22H18ClN7O5S2.C20H15ClN6O5S2/c25-19-4-6-21(39-19)40(36,37)30-23(34)28-16-2-5-20(27-14-16)32-22(33)17-3-1-15(13-18(17)29-24(32)35)26-7-8-31-9-11-38-12-10-31;25-19-6-8-21(38-19)39(36,37)30-23(34)28-16-4-7-20(27-14-16)32-22(33)17-5-3-15(13-18(17)29-24(32)35)26-9-12-31-10-1-2-11-31;1-29-9-8-24-19(29)12-2-4-14-15(10-12)27-22(33)30(20(14)31)17-6-3-13(11-25-17)26-21(32)28-37(34,35)18-7-5-16(23)36-18;21-15-2-4-17(33-15)34(31,32)26-19(29)24-11-1-3-16(23-9-11)27-18(28)12-7-10-5-6-22-13(10)8-14(12)25-20(27)30/h1-6,13-14,26H,7-12H2,(H,29,35)(H2,28,30,34);3-8,13-14,26H,1-2,9-12H2,(H,29,35)(H2,28,30,34);2-7,10-11H,8-9H2,1H3,(H,27,33)(H2,26,28,32);1-4,7-9,22H,5-6H2,(H,25,30)(H2,24,26,29).

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

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2275.15 g/mol, XLogP of 9.11, 25 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 158743516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).