6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one

C126H93BrCl6FN20O26S13- — CID 157328730

About 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one

6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one (PubChem CID 157328730) has the molecular formula C126H93BrCl6FN20O26S13- and a molecular weight of 3031.73 g/mol. Its IUPAC name is 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one.

Molecular Properties

• Compound Name: 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one
• PubChem CID: 157328730
• Molecular Formula: C126H93BrCl6FN20O26S13-
• Molecular Weight: 3031.73 g/mol
• Exact Mass: 3025.02
• IUPAC Name: 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one
• SMILES: Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Br)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/C24H21ClN4O4S2.2C21H16ClN3O4S2.C20H13BrClN3O4S2.C20H13ClFN3O4S2.C20H15ClN4O6S3/c25-21-6-8-23(34-21)35(32,33)14-18(30)11-16-3-7-22(26-13-16)29-15-27-20-12-17(28-9-1-2-10-28)4-5-19(20)24(29)31;2*1-13-2-4-17-16(8-13)21(27)25(12-24-17)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;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/h3-8,12-13,15H,1-2,9-11,14H2;2*2-8,10,12H,9,11H2,1H3;2*1-6,8-9,11H,7,10H2;1-6,8-9,11,24H,7,10H2,(H,28,29)/p-1
• InChIKey: AIMFWFAJPGJZMW-UHFFFAOYSA-M
• XLogP: 19.81
• TPSA: 649.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 51
• Rotatable Bonds: 39
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3031.73
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	51

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;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one?

The IUPAC name of 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one (CID 157328730) is 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one.

What is the SMILES notation for 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one?

The canonical SMILES for 6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one is Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.Cc1ccc2ncn(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1.O=C(Cc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cnc3ccc(Br)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;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one?

The InChIKey is AIMFWFAJPGJZMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21ClN4O4S2.2C21H16ClN3O4S2.C20H13BrClN3O4S2.C20H13ClFN3O4S2.C20H15ClN4O6S3/c25-21-6-8-23(34-21)35(32,33)14-18(30)11-16-3-7-22(26-13-16)29-15-27-20-12-17(28-9-1-2-10-28)4-5-19(20)24(29)31;2*1-13-2-4-17-16(8-13)21(27)25(12-24-17)19-6-3-14(10-23-19)9-15(26)11-31(28,29)20-7-5-18(22)30-20;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/h3-8,12-13,15H,1-2,9-11,14H2;2*2-8,10,12H,9,11H2,1H3;2*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;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one?

6-bromo-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;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one has a molecular weight of 3031.73 g/mol, XLogP of 19.81, 39 rotatable bonds, 1 hydrogen bond donors, and 51 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;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one is sourced from PubChem (CID 157328730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).