6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one

C113H95BrCl6N22O22S11 — CID 162193418

About 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one

6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one (PubChem CID 162193418) has the molecular formula C113H95BrCl6N22O22S11 and a molecular weight of 2758.49 g/mol. Its IUPAC name is 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one.

Molecular Properties

• Compound Name: 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one
• PubChem CID: 162193418
• Molecular Formula: C113H95BrCl6N22O22S11
• Molecular Weight: 2758.49 g/mol
• Exact Mass: 2752.12
• IUPAC Name: 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one
• SMILES: C/N=C(\N)c1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(CC(=O)CS(=O)(=O)c5ccc(Cl)s5)cn4)c(C)nc3cc2N1.CCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CNc1cc2nc(C)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Br.CNc1cc2nc(C)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Cl
• InChI: InChI=1S/C23H18ClN5O6S3.C23H20ClN5O4S2.C23H21ClN4O4S2.C22H18BrClN4O4S2.C22H18Cl2N4O4S2/c1-12-26-18-9-17-16(8-19(18)38(34,35)28-12)23(31)29(13(2)27-17)21-5-3-14(10-25-21)7-15(30)11-37(32,33)22-6-4-20(24)36-22;1-13-28-18-10-15(22(25)26-2)4-5-17(18)23(31)29(13)20-7-3-14(11-27-20)9-16(30)12-35(32,33)21-8-6-19(24)34-21;1-3-25-16-5-6-18-19(11-16)27-14(2)28(23(18)30)21-8-4-15(12-26-21)10-17(29)13-34(31,32)22-9-7-20(24)33-22;2*1-12-27-17-9-18(25-2)16(23)8-15(17)22(30)28(12)20-5-3-13(10-26-20)7-14(29)11-34(31,32)21-6-4-19(24)33-21/h3-6,8-10H,7,11H2,1-2H3,(H,26,28);3-8,10-11H,9,12H2,1-2H3,(H2,25,26);4-9,11-12,25H,3,10,13H2,1-2H3;2*3-6,8-10,25H,7,11H2,1-2H3
• InChIKey: ZQPVKGCDSILBPF-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 627.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.49
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one?

The IUPAC name of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one (CID 162193418) is 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one.

What is the SMILES notation for 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one?

The canonical SMILES for 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one is C/N=C(\N)c1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CC1=NS(=O)(=O)c2cc3c(=O)n(-c4ccc(CC(=O)CS(=O)(=O)c5ccc(Cl)s5)cn4)c(C)nc3cc2N1.CCNc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(C)nc2c1.CNc1cc2nc(C)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Br.CNc1cc2nc(C)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2cc1Cl.

What is the InChIKey of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one?

The InChIKey is ZQPVKGCDSILBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O6S3.C23H20ClN5O4S2.C23H21ClN4O4S2.C22H18BrClN4O4S2.C22H18Cl2N4O4S2/c1-12-26-18-9-17-16(8-19(18)38(34,35)28-12)23(31)29(13(2)27-17)21-5-3-14(10-25-21)7-15(30)11-37(32,33)22-6-4-20(24)36-22;1-13-28-18-10-15(22(25)26-2)4-5-17(18)23(31)29(13)20-7-3-14(11-27-20)9-16(30)12-35(32,33)21-8-6-19(24)34-21;1-3-25-16-5-6-18-19(11-16)27-14(2)28(23(18)30)21-8-4-15(12-26-21)10-17(29)13-34(31,32)22-9-7-20(24)33-22;2*1-12-27-17-9-18(25-2)16(23)8-15(17)22(30)28(12)20-5-3-13(10-26-20)7-14(29)11-34(31,32)21-6-4-19(24)33-21/h3-6,8-10H,7,11H2,1-2H3,(H,26,28);3-8,10-11H,9,12H2,1-2H3,(H2,25,26);4-9,11-12,25H,3,10,13H2,1-2H3;2*3-6,8-10,25H,7,11H2,1-2H3.

What are the key properties of 6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one?

6-bromo-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one has a molecular weight of 2758.49 g/mol, XLogP of 17.75, 35 rotatable bonds, 5 hydrogen bond donors, and 47 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]-2-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-7-(methylamino)quinazolin-4-one;8-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-9-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-N',2-dimethyl-4-oxoquinazoline-7-carboximidamide;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)-2-methylquinazolin-4-one is sourced from PubChem (CID 162193418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).