1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea

C100H79Cl5F3N29O20S11 — CID 160867689

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 160867689) has the molecular formula C100H79Cl5F3N29O20S11 and a molecular weight of 2593.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 160867689
• Molecular Formula: C100H79Cl5F3N29O20S11
• Molecular Weight: 2593.91 g/mol
• Exact Mass: 2589.14
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C21H17ClN6O4S2.C20H14ClF3N6O4S2.2C20H17ClN6O4S2.C19H14ClN5O4S3/c22-17-6-8-19(33-17)34(31,32)27-21(30)26-14-4-7-18(23-10-14)28-11-24-16-9-13(25-12-1-2-12)3-5-15(16)20(28)29;21-15-4-6-17(35-15)36(33,34)29-19(32)28-12-2-5-16(25-8-12)30-10-27-14-7-11(26-9-20(22,23)24)1-3-13(14)18(30)31;1-26(2)13-4-5-14-15(9-13)23-11-27(19(14)28)17-7-3-12(10-22-17)24-20(29)25-33(30,31)18-8-6-16(21)32-18;1-2-22-12-3-5-14-15(9-12)24-11-27(19(14)28)17-7-4-13(10-23-17)25-20(29)26-33(30,31)18-8-6-16(21)32-18;1-30-12-3-4-14-13(8-12)18(26)25(10-22-14)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17/h3-12,25H,1-2H2,(H2,26,27,30);1-8,10,26H,9H2,(H2,28,29,32);3-11H,1-2H3,(H2,24,25,29);3-11,22H,2H2,1H3,(H2,25,26,29);2-10H,1H3,(H2,23,24,27)
• InChIKey: SLINUQQDPDIPMD-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 654.58 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2593.91
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea (CID 160867689) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea is CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(NC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCC(F)(F)F)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is SLINUQQDPDIPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O4S2.C20H14ClF3N6O4S2.2C20H17ClN6O4S2.C19H14ClN5O4S3/c22-17-6-8-19(33-17)34(31,32)27-21(30)26-14-4-7-18(23-10-14)28-11-24-16-9-13(25-12-1-2-12)3-5-15(16)20(28)29;21-15-4-6-17(35-15)36(33,34)29-19(32)28-12-2-5-16(25-8-12)30-10-27-14-7-11(26-9-20(22,23)24)1-3-13(14)18(30)31;1-26(2)13-4-5-14-15(9-13)23-11-27(19(14)28)17-7-3-12(10-22-17)24-20(29)25-33(30,31)18-8-6-16(21)32-18;1-2-22-12-3-5-14-15(9-12)24-11-27(19(14)28)17-7-4-13(10-23-17)25-20(29)26-33(30,31)18-8-6-16(21)32-18;1-30-12-3-4-14-13(8-12)18(26)25(10-22-14)16-6-2-11(9-21-16)23-19(27)24-32(28,29)17-7-5-15(20)31-17/h3-12,25H,1-2H2,(H2,26,27,30);1-8,10,26H,9H2,(H2,28,29,32);3-11H,1-2H3,(H2,24,25,29);3-11,22H,2H2,1H3,(H2,25,26,29);2-10H,1H3,(H2,23,24,27).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2593.91 g/mol, XLogP of 17.80, 28 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 160867689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).