6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline

C101H69BrCl6FN16O22S11- — CID 159117693

About 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline

6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline (PubChem CID 159117693) has the molecular formula C101H69BrCl6FN16O22S11- and a molecular weight of 2523.11 g/mol. Its IUPAC name is 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline.

Molecular Properties

• Compound Name: 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline
• PubChem CID: 159117693
• Molecular Formula: C101H69BrCl6FN16O22S11-
• Molecular Weight: 2523.11 g/mol
• Exact Mass: 2516.90
• IUPAC Name: 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline
• SMILES: Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.O=C(Cc1ccc(-n2cnc3ccc(Br)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(F)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(NS(=O)[O-])cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C21H16ClN3O4S2.C20H13BrClN3O4S2.C20H13Cl2N3O4S2.C20H13ClFN3O4S2.C20H15ClN4O6S3/c1-13-2-4-16-17(8-13)24-12-25(21(16)27)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;2*21-13-2-3-16-15(8-13)20(27)25(11-24-16)18-5-1-12(9-23-18)7-14(26)10-31(28,29)19-6-4-17(22)30-19;21-17-4-6-19(30-17)31(28,29)10-14(26)7-12-1-5-18(23-9-12)25-11-24-16-3-2-13(22)8-15(16)20(25)27;21-17-4-6-19(32-17)34(30,31)10-14(26)7-12-1-5-18(22-9-12)25-11-23-16-3-2-13(24-33(28)29)8-15(16)20(25)27/h2-8,10,12H,9,11H2,1H3;3*1-6,8-9,11H,7,10H2;1-6,8-9,11,24H,7,10H2,(H,28,29)/p-1
• InChIKey: WYTBQCICNJCIMF-UHFFFAOYSA-M
• XLogP: 16.47
• TPSA: 547.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.11
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline?

The IUPAC name of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline (CID 159117693) is 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline.

What is the SMILES notation for 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline?

The canonical SMILES for 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.O=C(Cc1ccc(-n2cnc3ccc(Br)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(F)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(NS(=O)[O-])cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline?

The InChIKey is WYTBQCICNJCIMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16ClN3O4S2.C20H13BrClN3O4S2.C20H13Cl2N3O4S2.C20H13ClFN3O4S2.C20H15ClN4O6S3/c1-13-2-4-16-17(8-13)24-12-25(21(16)27)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;2*21-13-2-3-16-15(8-13)20(27)25(11-24-16)18-5-1-12(9-23-18)7-14(26)10-31(28,29)19-6-4-17(22)30-19;21-17-4-6-19(30-17)31(28,29)10-14(26)7-12-1-5-18(23-9-12)25-11-24-16-3-2-13(22)8-15(16)20(25)27;21-17-4-6-19(32-17)34(30,31)10-14(26)7-12-1-5-18(22-9-12)25-11-23-16-3-2-13(24-33(28)29)8-15(16)20(25)27/h2-8,10,12H,9,11H2,1H3;3*1-6,8-9,11H,7,10H2;1-6,8-9,11,24H,7,10H2,(H,28,29)/p-1.

What are the key properties of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline?

6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline has a molecular weight of 2523.11 g/mol, XLogP of 16.47, 32 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline is sourced from PubChem (CID 159117693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).