1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea

C115H106Cl7N29O27S10 — CID 157406300

About 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea

1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 157406300) has the molecular formula C115H106Cl7N29O27S10 and a molecular weight of 2895.13 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 157406300
• Molecular Formula: C115H106Cl7N29O27S10
• Molecular Weight: 2895.13 g/mol
• Exact Mass: 2889.28
• IUPAC Name: 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H28ClN7O5S2.C25H26ClN7O6S2.C25H26ClN7O5S2.C20H14Cl2N4O6S2.C19H12Cl2N4O5S2/c27-21-8-10-23(40-21)41(38,39)32-25(36)30-18-6-9-22(29-16-18)34-24(35)19-7-5-17(15-20(19)31-26(34)37)28-11-4-14-33-12-2-1-3-13-33;26-20-5-7-22(40-20)41(37,38)31-24(35)29-17-3-6-21(28-15-17)33-23(34)18-4-2-16(14-19(18)30-25(33)36)27-8-1-9-32-10-12-39-13-11-32;26-20-7-9-22(39-20)40(37,38)31-24(35)29-17-5-8-21(28-15-17)33-23(34)18-6-4-16(14-19(18)30-25(33)36)27-10-3-13-32-11-1-2-12-32;1-32-11-3-4-12-14(9-11)24-20(29)26(18(12)27)15-5-2-10(8-13(15)21)23-19(28)25-34(30,31)17-7-6-16(22)33-17;20-12-9-10(22-18(27)24-32(29,30)16-8-7-15(21)31-16)5-6-14(12)25-17(26)11-3-1-2-4-13(11)23-19(25)28/h5-10,15-16,28H,1-4,11-14H2,(H,31,37)(H2,30,32,36);2-7,14-15,27H,1,8-13H2,(H,30,36)(H2,29,31,35);4-9,14-15,27H,1-3,10-13H2,(H,30,36)(H2,29,31,35);2-9H,1H3,(H,24,29)(H2,23,25,28);1-9H,(H,23,28)(H2,22,24,27)
• InChIKey: BNTFUIPULDEJAU-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 753.59 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 46
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2895.13
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea (CID 157406300) is 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea is COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is BNTFUIPULDEJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O5S2.C25H26ClN7O6S2.C25H26ClN7O5S2.C20H14Cl2N4O6S2.C19H12Cl2N4O5S2/c27-21-8-10-23(40-21)41(38,39)32-25(36)30-18-6-9-22(29-16-18)34-24(35)19-7-5-17(15-20(19)31-26(34)37)28-11-4-14-33-12-2-1-3-13-33;26-20-5-7-22(40-20)41(37,38)31-24(35)29-17-3-6-21(28-15-17)33-23(34)18-4-2-16(14-19(18)30-25(33)36)27-8-1-9-32-10-12-39-13-11-32;26-20-7-9-22(39-20)40(37,38)31-24(35)29-17-5-8-21(28-15-17)33-23(34)18-6-4-16(14-19(18)30-25(33)36)27-10-3-13-32-11-1-2-12-32;1-32-11-3-4-12-14(9-11)24-20(29)26(18(12)27)15-5-2-10(8-13(15)21)23-19(28)25-34(30,31)17-7-6-16(22)33-17;20-12-9-10(22-18(27)24-32(29,30)16-8-7-15(21)31-16)5-6-14(12)25-17(26)11-3-1-2-4-13(11)23-19(25)28/h5-10,15-16,28H,1-4,11-14H2,(H,31,37)(H2,30,32,36);2-7,14-15,27H,1,8-13H2,(H,30,36)(H2,29,31,35);4-9,14-15,27H,1-3,10-13H2,(H,30,36)(H2,29,31,35);2-9H,1H3,(H,24,29)(H2,23,25,28);1-9H,(H,23,28)(H2,22,24,27).

What are the key properties of 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2895.13 g/mol, XLogP of 16.34, 36 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 157406300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).