1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea

C95H92Cl4N28O17S8 — CID 158208164

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 158208164) has the molecular formula C95H92Cl4N28O17S8 and a molecular weight of 2296.31 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 158208164
• Molecular Formula: C95H92Cl4N28O17S8
• Molecular Weight: 2296.31 g/mol
• Exact Mass: 2292.37
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C25H26ClN7O4S2.C24H24ClN7O5S2.C24H24ClN7O4S2.C22H18ClN7O4S2/c26-21-7-9-23(38-21)39(36,37)31-25(35)30-18-5-8-22(28-15-18)33-16-29-20-14-17(4-6-19(20)24(33)34)27-10-13-32-11-2-1-3-12-32;25-20-4-6-22(38-20)39(35,36)30-24(34)29-17-2-5-21(27-14-17)32-15-28-19-13-16(1-3-18(19)23(32)33)26-7-8-31-9-11-37-12-10-31;25-20-6-8-22(37-20)38(35,36)30-24(34)29-17-4-7-21(27-14-17)32-15-28-19-13-16(3-5-18(19)23(32)33)26-9-12-31-10-1-2-11-31;1-29-9-8-24-20(29)13-2-4-15-16(10-13)26-12-30(21(15)31)18-6-3-14(11-25-18)27-22(32)28-36(33,34)19-7-5-17(23)35-19/h4-9,14-16,27H,1-3,10-13H2,(H2,30,31,35);1-6,13-15,26H,7-12H2,(H2,29,30,34);3-8,13-15,26H,1-2,9-12H2,(H2,29,30,34);2-7,10-12H,8-9H2,1H3,(H2,27,28,32)
• InChIKey: GBTAZMALZYAGBY-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 562.84 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.31
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea (CID 158208164) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea is CN1CCN=C1c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is GBTAZMALZYAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O4S2.C24H24ClN7O5S2.C24H24ClN7O4S2.C22H18ClN7O4S2/c26-21-7-9-23(38-21)39(36,37)31-25(35)30-18-5-8-22(28-15-18)33-16-29-20-14-17(4-6-19(20)24(33)34)27-10-13-32-11-2-1-3-12-32;25-20-4-6-22(38-20)39(35,36)30-24(34)29-17-2-5-21(27-14-17)32-15-28-19-13-16(1-3-18(19)23(32)33)26-7-8-31-9-11-37-12-10-31;25-20-6-8-22(37-20)38(35,36)30-24(34)29-17-4-7-21(27-14-17)32-15-28-19-13-16(3-5-18(19)23(32)33)26-9-12-31-10-1-2-11-31;1-29-9-8-24-20(29)13-2-4-15-16(10-13)26-12-30(21(15)31)18-6-3-14(11-25-18)27-22(32)28-36(33,34)19-7-5-17(23)35-19/h4-9,14-16,27H,1-3,10-13H2,(H2,30,31,35);1-6,13-15,26H,7-12H2,(H2,29,30,34);3-8,13-15,26H,1-2,9-12H2,(H2,29,30,34);2-7,10-12H,8-9H2,1H3,(H2,27,28,32).

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

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2296.31 g/mol, XLogP of 12.87, 29 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 158208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).