1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea

C116H102Cl5N27O27S10 — CID 158503888

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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea (PubChem CID 158503888) has the molecular formula C116H102Cl5N27O27S10 and a molecular weight of 2804.19 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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
• PubChem CID: 158503888
• Molecular Formula: C116H102Cl5N27O27S10
• Molecular Weight: 2804.19 g/mol
• Exact Mass: 2799.31
• 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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(C4=NCCO4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc4c(cc3c2=O)CCN4)cc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H27ClN6O6S2.C26H27ClN6O5S2.C22H16ClN5O6S2.2C21H16ClN5O5S2/c27-22-8-9-23(40-22)41(37,38)31-25(35)29-17-2-5-19(6-3-17)33-24(34)20-7-4-18(16-21(20)30-26(33)36)28-10-1-11-32-12-14-39-15-13-32;27-22-10-11-23(39-22)40(37,38)31-25(35)29-17-4-7-19(8-5-17)33-24(34)20-9-6-18(16-21(20)30-26(33)36)28-12-3-15-32-13-1-2-14-32;23-17-7-8-18(35-17)36(32,33)27-21(30)25-13-2-4-14(5-3-13)28-20(29)15-6-1-12(19-24-9-10-34-19)11-16(15)26-22(28)31;22-17-5-6-18(33-17)34(31,32)26-20(29)24-12-1-3-13(4-2-12)27-19(28)14-9-11-7-8-23-15(11)10-16(14)25-21(27)30;22-16-7-8-17(33-16)34(31,32)26-20(29)24-11-1-3-12(4-2-11)27-19(28)14-5-6-15-13(9-10-23-15)18(14)25-21(27)30/h2-9,16,28H,1,10-15H2,(H,30,36)(H2,29,31,35);4-11,16,28H,1-3,12-15H2,(H,30,36)(H2,29,31,35);1-8,11H,9-10H2,(H,26,31)(H2,25,27,30);1-6,9-10,23H,7-8H2,(H,25,30)(H2,24,26,29);1-8,23H,9-10H2,(H,25,30)(H2,24,26,29)
• InChIKey: HKFSSFGAPMVGAJ-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 736.07 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 44
• Rotatable Bonds: 31
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2804.19
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	44

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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea (CID 158503888) 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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(C4=NCCO4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc4c(cc3c2=O)CCN4)cc1)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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea?

The InChIKey is HKFSSFGAPMVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O6S2.C26H27ClN6O5S2.C22H16ClN5O6S2.2C21H16ClN5O5S2/c27-22-8-9-23(40-22)41(37,38)31-25(35)29-17-2-5-19(6-3-17)33-24(34)20-7-4-18(16-21(20)30-26(33)36)28-10-1-11-32-12-14-39-15-13-32;27-22-10-11-23(39-22)40(37,38)31-25(35)29-17-4-7-19(8-5-17)33-24(34)20-9-6-18(16-21(20)30-26(33)36)28-12-3-15-32-13-1-2-14-32;23-17-7-8-18(35-17)36(32,33)27-21(30)25-13-2-4-14(5-3-13)28-20(29)15-6-1-12(19-24-9-10-34-19)11-16(15)26-22(28)31;22-17-5-6-18(33-17)34(31,32)26-20(29)24-12-1-3-13(4-2-12)27-19(28)14-9-11-7-8-23-15(11)10-16(14)25-21(27)30;22-16-7-8-17(33-16)34(31,32)26-20(29)24-11-1-3-12(4-2-11)27-19(28)14-5-6-15-13(9-10-23-15)18(14)25-21(27)30/h2-9,16,28H,1,10-15H2,(H,30,36)(H2,29,31,35);4-11,16,28H,1-3,12-15H2,(H,30,36)(H2,29,31,35);1-8,11H,9-10H2,(H,26,31)(H2,25,27,30);1-6,9-10,23H,7-8H2,(H,25,30)(H2,24,26,29);1-8,23H,9-10H2,(H,25,30)(H2,24,26,29).

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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea has a molecular weight of 2804.19 g/mol, XLogP of 15.27, 31 rotatable bonds, 19 hydrogen bond donors, and 44 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]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 158503888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).