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

C121H112F5N27O27S10 — CID 158096980

About 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (PubChem CID 158096980) has the molecular formula C121H112F5N27O27S10 and a molecular weight of 2792.05 g/mol. Its IUPAC name is 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
• PubChem CID: 158096980
• Molecular Formula: C121H112F5N27O27S10
• Molecular Weight: 2792.05 g/mol
• Exact Mass: 2789.53
• IUPAC Name: 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4c5c(ccc4c3=O)NCC5)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(C5=NCCO5)ccc4c3=O)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(NCCCN5CCCC5)ccc4c3=O)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(NCCCN5CCOCC5)ccc4c3=O)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc5c(cc4c3=O)CCN5)c(F)c2)s1
• InChI: InChI=1S/C27H29FN6O6S2.C27H29FN6O5S2.C23H18FN5O6S2.2C22H18FN5O5S2/c1-17-3-8-24(41-17)42(38,39)32-26(36)30-19-5-7-23(21(28)15-19)34-25(35)20-6-4-18(16-22(20)31-27(34)37)29-9-2-10-33-11-13-40-14-12-33;1-17-5-10-24(40-17)41(38,39)32-26(36)30-19-7-9-23(21(28)15-19)34-25(35)20-8-6-18(16-22(20)31-27(34)37)29-11-4-14-33-12-2-3-13-33;1-12-2-7-19(36-12)37(33,34)28-22(31)26-14-4-6-18(16(24)11-14)29-21(30)15-5-3-13(20-25-8-9-35-20)10-17(15)27-23(29)32;1-11-2-7-18(34-11)35(32,33)27-21(30)25-12-3-6-17(15(23)10-12)28-20(29)14-4-5-16-13(8-9-24-16)19(14)26-22(28)31;1-11-2-5-19(34-11)35(32,33)27-21(30)25-13-3-4-18(15(23)9-13)28-20(29)14-8-12-6-7-24-16(12)10-17(14)26-22(28)31/h3-8,15-16,29H,2,9-14H2,1H3,(H,31,37)(H2,30,32,36);5-10,15-16,29H,2-4,11-14H2,1H3,(H,31,37)(H2,30,32,36);2-7,10-11H,8-9H2,1H3,(H,27,32)(H2,26,28,31);2-7,10,24H,8-9H2,1H3,(H,26,31)(H2,25,27,30);2-5,8-10,24H,6-7H2,1H3,(H,26,31)(H2,25,27,30)
• InChIKey: FOUDBRLGAPXFLB-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 736.07 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 44
• Rotatable Bonds: 31
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2792.05
LogP ≤ 5	14.24
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-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The IUPAC name of 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (CID 158096980) is 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

What is the SMILES notation for 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The canonical SMILES for 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4c5c(ccc4c3=O)NCC5)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(C5=NCCO5)ccc4c3=O)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(NCCCN5CCCC5)ccc4c3=O)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc(NCCCN5CCOCC5)ccc4c3=O)c(F)c2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(=O)[nH]c4cc5c(cc4c3=O)CCN5)c(F)c2)s1.

What is the InChIKey of 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The InChIKey is FOUDBRLGAPXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O6S2.C27H29FN6O5S2.C23H18FN5O6S2.2C22H18FN5O5S2/c1-17-3-8-24(41-17)42(38,39)32-26(36)30-19-5-7-23(21(28)15-19)34-25(35)20-6-4-18(16-22(20)31-27(34)37)29-9-2-10-33-11-13-40-14-12-33;1-17-5-10-24(40-17)41(38,39)32-26(36)30-19-7-9-23(21(28)15-19)34-25(35)20-8-6-18(16-22(20)31-27(34)37)29-11-4-14-33-12-2-3-13-33;1-12-2-7-19(36-12)37(33,34)28-22(31)26-14-4-6-18(16(24)11-14)29-21(30)15-5-3-13(20-25-8-9-35-20)10-17(15)27-23(29)32;1-11-2-7-18(34-11)35(32,33)27-21(30)25-12-3-6-17(15(23)10-12)28-20(29)14-4-5-16-13(8-9-24-16)19(14)26-22(28)31;1-11-2-5-19(34-11)35(32,33)27-21(30)25-13-3-4-18(15(23)9-13)28-20(29)14-8-12-6-7-24-16(12)10-17(14)26-22(28)31/h3-8,15-16,29H,2,9-14H2,1H3,(H,31,37)(H2,30,32,36);5-10,15-16,29H,2-4,11-14H2,1H3,(H,31,37)(H2,30,32,36);2-7,10-11H,8-9H2,1H3,(H,27,32)(H2,26,28,31);2-7,10,24H,8-9H2,1H3,(H,26,31)(H2,25,27,30);2-5,8-10,24H,6-7H2,1H3,(H,26,31)(H2,25,27,30).

What are the key properties of 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea has a molecular weight of 2792.05 g/mol, XLogP of 14.24, 31 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2,4-dioxo-7-(3-pyrrolidin-1-ylpropylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,7,8,9-tetrahydropyrrolo[2,3-h]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 158096980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).