1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea

C118H95Cl6F4N37O23S10 — CID 158048550

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea

1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea (PubChem CID 158048550) has the molecular formula C118H95Cl6F4N37O23S10 and a molecular weight of 3008.67 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea
• PubChem CID: 158048550
• Molecular Formula: C118H95Cl6F4N37O23S10
• Molecular Weight: 3008.67 g/mol
• Exact Mass: 3003.27
• IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea
• SMILES: CNc1ccc2c(=O)n(-c3ccc(NC(=O)NCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NCc4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)nn3)cnc2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)c(OC)n3)cnc2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1
• InChI: InChI=1S/C22H17ClF3N5O3S.C22H20ClN5O3S.C19H14ClFN6O4S2.C19H16ClN7O5S2.2C18H14ClN7O4S2/c1-27-11-2-5-14-16(9-11)30-21(34)31(19(14)32)17-6-3-12(8-15(17)22(24,25)26)29-20(33)28-10-13-4-7-18(23)35-13;1-12-9-14(26-21(30)25-11-15-5-8-19(23)32-15)4-7-18(12)28-20(29)16-6-3-13(24-2)10-17(16)27-22(28)31;1-22-10-2-3-12-14(7-10)24-9-27(18(12)28)17-13(21)6-11(8-23-17)25-19(29)26-33(30,31)16-5-4-15(20)32-16;1-21-10-3-4-11-12(7-10)23-9-27(17(11)28)18-22-8-13(16(25-18)32-2)24-19(29)26-34(30,31)15-6-5-14(20)33-15;1-20-10-2-3-11-12(8-10)21-9-26(17(11)27)15-6-5-14(23-24-15)22-18(28)25-32(29,30)16-7-4-13(19)31-16;1-20-10-2-3-11-12(6-10)23-9-26(17(11)27)15-8-21-14(7-22-15)24-18(28)25-32(29,30)16-5-4-13(19)31-16/h2-9,27H,10H2,1H3,(H,30,34)(H2,28,29,33);3-10,24H,11H2,1-2H3,(H,27,31)(H2,25,26,30);2-9,22H,1H3,(H2,25,26,29);3-9,21H,1-2H3,(H2,24,26,29);2-9,20H,1H3,(H2,22,23,25,28);2-9,20H,1H3,(H2,21,24,25,28)
• InChIKey: FJEXXDLRWDTXTN-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 804.26 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 52
• Rotatable Bonds: 31
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3008.67
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea?

The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea (CID 158048550) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea.

What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea?

The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea is CNc1ccc2c(=O)n(-c3ccc(NC(=O)NCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NCc4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)nn3)cnc2c1.CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)c(OC)n3)cnc2c1.CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1.

What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea?

The InChIKey is FJEXXDLRWDTXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O3S.C22H20ClN5O3S.C19H14ClFN6O4S2.C19H16ClN7O5S2.2C18H14ClN7O4S2/c1-27-11-2-5-14-16(9-11)30-21(34)31(19(14)32)17-6-3-12(8-15(17)22(24,25)26)29-20(33)28-10-13-4-7-18(23)35-13;1-12-9-14(26-21(30)25-11-15-5-8-19(23)32-15)4-7-18(12)28-20(29)16-6-3-13(24-2)10-17(16)27-22(28)31;1-22-10-2-3-12-14(7-10)24-9-27(18(12)28)17-13(21)6-11(8-23-17)25-19(29)26-33(30,31)16-5-4-15(20)32-16;1-21-10-3-4-11-12(7-10)23-9-27(17(11)28)18-22-8-13(16(25-18)32-2)24-19(29)26-34(30,31)15-6-5-14(20)33-15;1-20-10-2-3-11-12(8-10)21-9-26(17(11)27)15-6-5-14(23-24-15)22-18(28)25-32(29,30)16-7-4-13(19)31-16;1-20-10-2-3-11-12(6-10)23-9-26(17(11)27)15-8-21-14(7-22-15)24-18(28)25-32(29,30)16-5-4-13(19)31-16/h2-9,27H,10H2,1H3,(H,30,34)(H2,28,29,33);3-10,24H,11H2,1-2H3,(H,27,31)(H2,25,26,30);2-9,22H,1H3,(H2,25,26,29);3-9,21H,1-2H3,(H2,24,26,29);2-9,20H,1H3,(H2,22,23,25,28);2-9,20H,1H3,(H2,21,24,25,28).

What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea?

1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea has a molecular weight of 3008.67 g/mol, XLogP of 19.37, 31 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrimidin-5-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-4-oxoquinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-4-oxoquinazolin-3-yl]pyridazin-3-yl]urea is sourced from PubChem (CID 158048550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).