1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

C98H93ClN22O17S8 — CID 157286244

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (PubChem CID 157286244) has the molecular formula C98H93ClN22O17S8 and a molecular weight of 2142.95 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
• PubChem CID: 157286244
• Molecular Formula: C98H93ClN22O17S8
• Molecular Weight: 2142.95 g/mol
• Exact Mass: 2140.45
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCN5C)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCO5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc5c(cc4c3=O)CCN5)cc2)s1.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1
• InChI: InChI=1S/C26H27ClN6O4S2.C25H24N6O4S2.C24H21N5O5S2.C23H21N5O4S2/c1-17-29-22-16-19(28-12-15-32-13-2-3-14-32)6-9-21(22)25(34)33(17)20-7-4-18(5-8-20)30-26(35)31-39(36,37)24-11-10-23(27)38-24;1-15-4-11-22(36-15)37(34,35)29-25(33)28-18-6-8-19(9-7-18)31-16(2)27-21-14-17(5-10-20(21)24(31)32)23-26-12-13-30(23)3;1-14-3-10-21(35-14)36(32,33)28-24(31)27-17-5-7-18(8-6-17)29-15(2)26-20-13-16(22-25-11-12-34-22)4-9-19(20)23(29)30;1-13-3-8-21(33-13)34(31,32)27-23(30)26-16-4-6-17(7-5-16)28-14(2)25-20-12-19-15(9-10-24-19)11-18(20)22(28)29/h4-11,16,28H,2-3,12-15H2,1H3,(H2,30,31,35);4-11,14H,12-13H2,1-3H3,(H2,28,29,33);3-10,13H,11-12H2,1-2H3,(H2,27,28,31);3-8,11-12,24H,9-10H2,1-2H3,(H2,26,27,30)
• InChIKey: BAGOSTCPHVBMMB-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 505.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.95
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (CID 157286244) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCN5C)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCO5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc5c(cc4c3=O)CCN5)cc2)s1.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

The InChIKey is BAGOSTCPHVBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O4S2.C25H24N6O4S2.C24H21N5O5S2.C23H21N5O4S2/c1-17-29-22-16-19(28-12-15-32-13-2-3-14-32)6-9-21(22)25(34)33(17)20-7-4-18(5-8-20)30-26(35)31-39(36,37)24-11-10-23(27)38-24;1-15-4-11-22(36-15)37(34,35)29-25(33)28-18-6-8-19(9-7-18)31-16(2)27-21-14-17(5-10-20(21)24(31)32)23-26-12-13-30(23)3;1-14-3-10-21(35-14)36(32,33)28-24(31)27-17-5-7-18(8-6-17)29-15(2)26-20-13-16(22-25-11-12-34-22)4-9-19(20)23(29)30;1-13-3-8-21(33-13)34(31,32)27-23(30)26-16-4-6-17(7-5-16)28-14(2)25-20-12-19-15(9-10-24-19)11-18(20)22(28)29/h4-11,16,28H,2-3,12-15H2,1H3,(H2,30,31,35);4-11,14H,12-13H2,1-3H3,(H2,28,29,33);3-10,13H,11-12H2,1-2H3,(H2,27,28,31);3-8,11-12,24H,9-10H2,1-2H3,(H2,26,27,30).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea has a molecular weight of 2142.95 g/mol, XLogP of 14.59, 22 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 157286244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).