4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride

C124H126Cl4N23O19S5- — CID 159880117

About 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride

4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride (PubChem CID 159880117) has the molecular formula C124H126Cl4N23O19S5- and a molecular weight of 2544.66 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride.

Molecular Properties

• Compound Name: 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride
• PubChem CID: 159880117
• Molecular Formula: C124H126Cl4N23O19S5-
• Molecular Weight: 2544.66 g/mol
• Exact Mass: 2540.70
• IUPAC Name: 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride
• SMILES: COc1cc2[nH]c(=S)[n+](CCCC(=O)c3cccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)[nH+]3)c(N)c2cc1OC.COc1cc2[nH]c(=S)[n+](CCCC(=O)c3nnc(-c4ccccc4)o3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc(-c4ccccc4)on3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3ccc(-c4ccccc4)nc3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3nnc(-c4ccccc4)o3)c(N)c2cc1OC.[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C32H35N5O4S.C25H24N4O3S.C23H22N4O4S.2C22H21N5O4S.4ClH/c1-20-13-16-36(17-14-20)31(39)22-11-9-21(10-12-22)24-6-4-7-25(34-24)27(38)8-5-15-37-30(33)23-18-28(40-2)29(41-3)19-26(23)35-32(37)42;1-31-22-13-18-20(14-23(22)32-2)28-25(33)29(24(18)26)12-6-9-21(30)17-10-11-19(27-15-17)16-7-4-3-5-8-16;1-29-20-11-15-16(12-21(20)30-2)25-23(32)27(22(15)24)10-6-9-18(28)17-13-19(31-26-17)14-7-4-3-5-8-14;2*1-29-17-11-14-15(12-18(17)30-2)24-22(32)27(19(14)23)10-6-9-16(28)21-26-25-20(31-21)13-7-4-3-5-8-13;;;;/h4,6-7,9-12,18-20H,5,8,13-17H2,1-3H3,(H2,33,35,42);3-5,7-8,10-11,13-15H,6,9,12,26H2,1-2H3;3-5,7-8,11-13H,6,9-10,24H2,1-2H3;3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,23,24,32);3-5,7-8,11-12H,6,9-10,23H2,1-2H3;4*1H/p-1
• InChIKey: USRBYHCFWNAEFX-UHFFFAOYSA-M
• XLogP: 10.17
• TPSA: 551.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2544.66
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride?

The IUPAC name of 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride (CID 159880117) is 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride.

What is the SMILES notation for 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride?

The canonical SMILES for 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride is COc1cc2[nH]c(=S)[n+](CCCC(=O)c3cccc(-c4ccc(C(=O)N5CCC(C)CC5)cc4)[nH+]3)c(N)c2cc1OC.COc1cc2[nH]c(=S)[n+](CCCC(=O)c3nnc(-c4ccccc4)o3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc(-c4ccccc4)on3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3ccc(-c4ccccc4)nc3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3nnc(-c4ccccc4)o3)c(N)c2cc1OC.[Cl-].[Cl-].[Cl-].[Cl-].

What is the InChIKey of 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride?

The InChIKey is USRBYHCFWNAEFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H35N5O4S.C25H24N4O3S.C23H22N4O4S.2C22H21N5O4S.4ClH/c1-20-13-16-36(17-14-20)31(39)22-11-9-21(10-12-22)24-6-4-7-25(34-24)27(38)8-5-15-37-30(33)23-18-28(40-2)29(41-3)19-26(23)35-32(37)42;1-31-22-13-18-20(14-23(22)32-2)28-25(33)29(24(18)26)12-6-9-21(30)17-10-11-19(27-15-17)16-7-4-3-5-8-16;1-29-20-11-15-16(12-21(20)30-2)25-23(32)27(22(15)24)10-6-9-18(28)17-13-19(31-26-17)14-7-4-3-5-8-14;2*1-29-17-11-14-15(12-18(17)30-2)24-22(32)27(19(14)23)10-6-9-16(28)21-26-25-20(31-21)13-7-4-3-5-8-13;;;;/h4,6-7,9-12,18-20H,5,8,13-17H2,1-3H3,(H2,33,35,42);3-5,7-8,10-11,13-15H,6,9,12,26H2,1-2H3;3-5,7-8,11-13H,6,9-10,24H2,1-2H3;3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,23,24,32);3-5,7-8,11-12H,6,9-10,23H2,1-2H3;4*1H/p-1.

What are the key properties of 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride?

4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride has a molecular weight of 2544.66 g/mol, XLogP of 10.17, 41 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-[6-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyridin-1-ium-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(6-phenyl-3-pyridinyl)butan-1-one;tetrachloride is sourced from PubChem (CID 159880117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).