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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

C46H39F2N11O10S4 — CID 91525332

About 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (PubChem CID 91525332) has the molecular formula C46H39F2N11O10S4 and a molecular weight of 1072.15 g/mol. Its IUPAC name is 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

• Compound Name: 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
• PubChem CID: 91525332
• Molecular Formula: C46H39F2N11O10S4
• Molecular Weight: 1072.15 g/mol
• Exact Mass: 1071.17
• IUPAC Name: 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-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]c4cc(C5=NCCN5C)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/C24H21FN6O5S2.C22H18FN5O5S2/c1-13-3-8-20(37-13)38(35,36)29-23(33)27-15-5-7-19(17(25)12-15)31-22(32)16-6-4-14(11-18(16)28-24(31)34)21-26-9-10-30(21)2;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/h3-8,11-12H,9-10H2,1-2H3,(H,28,34)(H2,27,29,33);2-5,8-10,24H,6-7H2,1H3,(H,26,31)(H2,25,27,30)
• InChIKey: PFISBESADPVXQS-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 287.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1072.15
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The IUPAC name of 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (CID 91525332) is 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

What is the SMILES notation for 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The canonical SMILES for 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-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]c4cc(C5=NCCN5C)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-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The InChIKey is PFISBESADPVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O5S2.C22H18FN5O5S2/c1-13-3-8-20(37-13)38(35,36)29-23(33)27-15-5-7-19(17(25)12-15)31-22(32)16-6-4-14(11-18(16)28-24(31)34)21-26-9-10-30(21)2;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/h3-8,11-12H,9-10H2,1-2H3,(H,28,34)(H2,27,29,33);2-5,8-10,24H,6-7H2,1H3,(H,26,31)(H2,25,27,30).

What are the key properties of 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea has a molecular weight of 1072.15 g/mol, XLogP of 5.06, 9 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 91525332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).