1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea

C122H110Cl5F5N28O27S10 — CID 157197185

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea (PubChem CID 157197185) has the molecular formula C122H110Cl5F5N28O27S10 and a molecular weight of 2993.32 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
• PubChem CID: 157197185
• Molecular Formula: C122H110Cl5F5N28O27S10
• Molecular Weight: 2993.32 g/mol
• Exact Mass: 2988.37
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
• SMILES: O=C(Nc1ccc(-n2c(=O)[nH]c3c4c(ccc3c2=O)NCC4)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(C4=NCCO4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C27H28ClFN6O5S2.C26H26ClFN6O6S2.C26H26ClFN6O5S2.C22H15ClFN5O6S2.C21H15ClFN5O5S2/c28-23-9-10-24(41-23)42(39,40)33-26(37)31-18-6-8-22(20(29)15-18)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;27-22-6-7-23(41-22)42(38,39)32-25(36)30-17-3-5-21(19(28)14-17)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;27-22-8-9-23(40-22)41(38,39)32-25(36)30-17-5-7-21(19(28)14-17)34-24(35)18-6-4-16(15-20(18)31-26(34)37)29-10-3-13-33-11-1-2-12-33;23-17-5-6-18(36-17)37(33,34)28-21(31)26-12-2-4-16(14(24)10-12)29-20(30)13-3-1-11(19-25-7-8-35-19)9-15(13)27-22(29)32;22-16-5-6-17(34-16)35(32,33)27-20(30)25-10-1-4-15(13(23)9-10)28-19(29)12-2-3-14-11(7-8-24-14)18(12)26-21(28)31/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);1-6,9-10H,7-8H2,(H,27,32)(H2,26,28,31);1-6,9,24H,7-8H2,(H,26,31)(H2,25,27,30)
• InChIKey: AQJPEEXVHVUVTD-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 739.31 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 45
• Rotatable Bonds: 36
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2993.32
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea (CID 157197185) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea is O=C(Nc1ccc(-n2c(=O)[nH]c3c4c(ccc3c2=O)NCC4)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(C4=NCCO4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea?

The InChIKey is AQJPEEXVHVUVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN6O5S2.C26H26ClFN6O6S2.C26H26ClFN6O5S2.C22H15ClFN5O6S2.C21H15ClFN5O5S2/c28-23-9-10-24(41-23)42(39,40)33-26(37)31-18-6-8-22(20(29)15-18)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;27-22-6-7-23(41-22)42(38,39)32-25(36)30-17-3-5-21(19(28)14-17)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;27-22-8-9-23(40-22)41(38,39)32-25(36)30-17-5-7-21(19(28)14-17)34-24(35)18-6-4-16(15-20(18)31-26(34)37)29-10-3-13-33-11-1-2-12-33;23-17-5-6-18(36-17)37(33,34)28-21(31)26-12-2-4-16(14(24)10-12)29-20(30)13-3-1-11(19-25-7-8-35-19)9-15(13)27-22(29)32;22-16-5-6-17(34-16)35(32,33)27-20(30)25-10-1-4-15(13(23)9-10)28-19(29)12-2-3-14-11(7-8-24-14)18(12)26-21(28)31/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);1-6,9-10H,7-8H2,(H,27,32)(H2,26,28,31);1-6,9,24H,7-8H2,(H,26,31)(H2,25,27,30).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea has a molecular weight of 2993.32 g/mol, XLogP of 17.28, 36 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 157197185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).