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

C117H110Cl5N33O27S10 — CID 159844119

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

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 159844119) has the molecular formula C117H110Cl5N33O27S10 and a molecular weight of 2908.31 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
• PubChem CID: 159844119
• Molecular Formula: C117H110Cl5N33O27S10
• Molecular Weight: 2908.31 g/mol
• Exact Mass: 2903.39
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
• SMILES: O=C(Nc1ccc(-n2c(=O)[nH]c3c4c(ccc3c2=O)NCC4)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(C4=NCCO4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H28ClN7O5S2.C25H26ClN7O6S2.C25H26ClN7O5S2.C21H15ClN6O6S2.C20H15ClN6O5S2/c27-21-8-10-23(40-21)41(38,39)32-25(36)30-18-6-9-22(29-16-18)34-24(35)19-7-5-17(15-20(19)31-26(34)37)28-11-4-14-33-12-2-1-3-13-33;26-20-5-7-22(40-20)41(37,38)31-24(35)29-17-3-6-21(28-15-17)33-23(34)18-4-2-16(14-19(18)30-25(33)36)27-8-1-9-32-10-12-39-13-11-32;26-20-7-9-22(39-20)40(37,38)31-24(35)29-17-5-8-21(28-15-17)33-23(34)18-6-4-16(14-19(18)30-25(33)36)27-10-3-13-32-11-1-2-12-32;22-15-4-6-17(35-15)36(32,33)27-20(30)25-12-2-5-16(24-10-12)28-19(29)13-3-1-11(18-23-7-8-34-18)9-14(13)26-21(28)31;21-14-4-6-16(33-14)34(31,32)26-19(29)24-10-1-5-15(23-9-10)27-18(28)12-2-3-13-11(7-8-22-13)17(12)25-20(27)30/h5-10,15-16,28H,1-4,11-14H2,(H,31,37)(H2,30,32,36);2-7,14-15,27H,1,8-13H2,(H,30,36)(H2,29,31,35);4-9,14-15,27H,1-3,10-13H2,(H,30,36)(H2,29,31,35);1-6,9-10H,7-8H2,(H,26,31)(H2,25,27,30);1-6,9,22H,7-8H2,(H,25,30)(H2,24,26,29)
• InChIKey: NPBNKHKNBNFYAO-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 803.76 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 50
• Rotatable Bonds: 36
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2908.31
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	50

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

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea (CID 159844119) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea is O=C(Nc1ccc(-n2c(=O)[nH]c3c4c(ccc3c2=O)NCC4)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(C4=NCCO4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is NPBNKHKNBNFYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O5S2.C25H26ClN7O6S2.C25H26ClN7O5S2.C21H15ClN6O6S2.C20H15ClN6O5S2/c27-21-8-10-23(40-21)41(38,39)32-25(36)30-18-6-9-22(29-16-18)34-24(35)19-7-5-17(15-20(19)31-26(34)37)28-11-4-14-33-12-2-1-3-13-33;26-20-5-7-22(40-20)41(37,38)31-24(35)29-17-3-6-21(28-15-17)33-23(34)18-4-2-16(14-19(18)30-25(33)36)27-8-1-9-32-10-12-39-13-11-32;26-20-7-9-22(39-20)40(37,38)31-24(35)29-17-5-8-21(28-15-17)33-23(34)18-6-4-16(14-19(18)30-25(33)36)27-10-3-13-32-11-1-2-12-32;22-15-4-6-17(35-15)36(32,33)27-20(30)25-12-2-5-16(24-10-12)28-19(29)13-3-1-11(18-23-7-8-34-18)9-14(13)26-21(28)31;21-14-4-6-16(33-14)34(31,32)26-19(29)24-10-1-5-15(23-9-10)27-18(28)12-2-3-13-11(7-8-22-13)17(12)25-20(27)30/h5-10,15-16,28H,1-4,11-14H2,(H,31,37)(H2,30,32,36);2-7,14-15,27H,1,8-13H2,(H,30,36)(H2,29,31,35);4-9,14-15,27H,1-3,10-13H2,(H,30,36)(H2,29,31,35);1-6,9-10H,7-8H2,(H,26,31)(H2,25,27,30);1-6,9,22H,7-8H2,(H,25,30)(H2,24,26,29).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea has a molecular weight of 2908.31 g/mol, XLogP of 13.56, 36 rotatable bonds, 19 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-piperidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 159844119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).