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

C79H80Cl6N18O16S6 — CID 157194525

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

1-[3-chloro-4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 157194525) has the molecular formula C79H80Cl6N18O16S6 and a molecular weight of 1942.74 g/mol. Its IUPAC name is 1-[3-chloro-4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-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-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
• PubChem CID: 157194525
• Molecular Formula: C79H80Cl6N18O16S6
• Molecular Weight: 1942.74 g/mol
• Exact Mass: 1938.25
• IUPAC Name: 1-[3-chloro-4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
• SMILES: O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C27H28Cl2N6O5S2.C26H26Cl2N6O6S2.C26H26Cl2N6O5S2/c28-20-15-18(31-26(37)33-42(39,40)24-10-9-23(29)41-24)6-8-22(20)35-25(36)19-7-5-17(16-21(19)32-27(35)38)30-11-4-14-34-12-2-1-3-13-34;27-19-14-17(30-25(36)32-42(38,39)23-7-6-22(28)41-23)3-5-21(19)34-24(35)18-4-2-16(15-20(18)31-26(34)37)29-8-1-9-33-10-12-40-13-11-33;27-19-14-17(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)29-10-3-13-33-11-1-2-12-33/h5-10,15-16,30H,1-4,11-14H2,(H,32,38)(H2,31,33,37);2-7,14-15,29H,1,8-13H2,(H,31,37)(H2,30,32,36);4-9,14-15,29H,1-3,10-13H2,(H,31,37)(H2,30,32,36)
• InChIKey: AQBZDPYSTLHFAY-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 445.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.74
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

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-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-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-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 157194525) is 1-[3-chloro-4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-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-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-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-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.

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

The InChIKey is AQBZDPYSTLHFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6O5S2.C26H26Cl2N6O6S2.C26H26Cl2N6O5S2/c28-20-15-18(31-26(37)33-42(39,40)24-10-9-23(29)41-24)6-8-22(20)35-25(36)19-7-5-17(16-21(19)32-27(35)38)30-11-4-14-34-12-2-1-3-13-34;27-19-14-17(30-25(36)32-42(38,39)23-7-6-22(28)41-23)3-5-21(19)34-24(35)18-4-2-16(15-20(18)31-26(34)37)29-8-1-9-33-10-12-40-13-11-33;27-19-14-17(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)29-10-3-13-33-11-1-2-12-33/h5-10,15-16,30H,1-4,11-14H2,(H,32,38)(H2,31,33,37);2-7,14-15,29H,1,8-13H2,(H,31,37)(H2,30,32,36);4-9,14-15,29H,1-3,10-13H2,(H,31,37)(H2,30,32,36).

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

1-[3-chloro-4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 1942.74 g/mol, XLogP of 12.99, 27 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 157194525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).