6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione

C102H72Cl7N15O25S10 — CID 157290243

About 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione

6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione (PubChem CID 157290243) has the molecular formula C102H72Cl7N15O25S10 and a molecular weight of 2476.62 g/mol. Its IUPAC name is 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione
• PubChem CID: 157290243
• Molecular Formula: C102H72Cl7N15O25S10
• Molecular Weight: 2476.62 g/mol
• Exact Mass: 2470.99
• IUPAC Name: 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione
• SMILES: Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(Cl)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/2C21H16ClN3O5S2.2C20H13Cl2N3O5S2.C20H14ClN3O5S2/c2*1-12-2-4-15-16(8-12)24-21(28)25(20(15)27)18-6-3-13(10-23-18)9-14(26)11-32(29,30)19-7-5-17(22)31-19;21-12-2-3-15-14(8-12)19(27)25(20(28)24-15)17-5-1-11(9-23-17)7-13(26)10-32(29,30)18-6-4-16(22)31-18;21-12-2-3-14-15(8-12)24-20(28)25(19(14)27)17-5-1-11(9-23-17)7-13(26)10-32(29,30)18-6-4-16(22)31-18;21-16-6-8-18(30-16)31(28,29)11-13(25)9-12-5-7-17(22-10-12)24-19(26)14-3-1-2-4-15(14)23-20(24)27/h2*2-8,10H,9,11H2,1H3,(H,24,28);2*1-6,8-9H,7,10H2,(H,24,28);1-8,10H,9,11H2,(H,23,27)
• InChIKey: BASFKEZXLCTIQJ-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 594.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.62
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione?

The IUPAC name of 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione (CID 157290243) is 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione.

What is the SMILES notation for 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione?

The canonical SMILES for 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.O=C(Cc1ccc(-n2c(=O)[nH]c3cc(Cl)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione?

The InChIKey is BASFKEZXLCTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClN3O5S2.2C20H13Cl2N3O5S2.C20H14ClN3O5S2/c2*1-12-2-4-15-16(8-12)24-21(28)25(20(15)27)18-6-3-13(10-23-18)9-14(26)11-32(29,30)19-7-5-17(22)31-19;21-12-2-3-15-14(8-12)19(27)25(20(28)24-15)17-5-1-11(9-23-17)7-13(26)10-32(29,30)18-6-4-16(22)31-18;21-12-2-3-14-15(8-12)24-20(28)25(19(14)27)17-5-1-11(9-23-17)7-13(26)10-32(29,30)18-6-4-16(22)31-18;21-16-6-8-18(30-16)31(28,29)11-13(25)9-12-5-7-17(22-10-12)24-19(26)14-3-1-2-4-15(14)23-20(24)27/h2*2-8,10H,9,11H2,1H3,(H,24,28);2*1-6,8-9H,7,10H2,(H,24,28);1-8,10H,9,11H2,(H,23,27).

What are the key properties of 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione?

6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione has a molecular weight of 2476.62 g/mol, XLogP of 13.80, 30 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 157290243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).