3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

C126H95N21O9S5 — CID 167655955

About 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 167655955) has the molecular formula C126H95N21O9S5 and a molecular weight of 2207.62 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 167655955
• Molecular Formula: C126H95N21O9S5
• Molecular Weight: 2207.62 g/mol
• Exact Mass: 2205.62
• IUPAC Name: 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cc1.COc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cn1.Cc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1C.Cc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cc1C.Cc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cc1C.Cc1cccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)c1.O=c1[nH]c(-c2ccccc2)nc2ccsc12
• InChI: InChI=1S/C21H17N3O.C20H15N3O.2C19H15N3OS.C18H13N3O2S.C17H12N4O2S.C12H8N2OS/c1-14-9-10-17(12-15(14)2)24-20(16-6-5-11-22-13-16)23-19-8-4-3-7-18(19)21(24)25;1-14-6-4-8-16(12-14)23-19(15-7-5-11-21-13-15)22-18-10-3-2-9-17(18)20(23)24;2*1-12-5-6-15(10-13(12)2)22-18(14-4-3-8-20-11-14)21-16-7-9-24-17(16)19(22)23;1-23-14-6-4-13(5-7-14)21-17(12-3-2-9-19-11-12)20-15-8-10-24-16(15)18(21)22;1-23-14-5-4-12(10-19-14)21-16(11-3-2-7-18-9-11)20-13-6-8-24-15(13)17(21)22;15-12-10-9(6-7-16-10)13-11(14-12)8-4-2-1-3-5-8/h3-13H,1-2H3;2-13H,1H3;2*3-11H,1-2H3;2-11H,1H3;2-10H,1H3;1-7H,(H,13,14,15)
• InChIKey: RGLQZKTTWRJPAV-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 363.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.62
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 167655955) is 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cc1.COc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cn1.Cc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1C.Cc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cc1C.Cc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cc1C.Cc1cccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)c1.O=c1[nH]c(-c2ccccc2)nc2ccsc12.

What is the InChIKey of 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is RGLQZKTTWRJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O.C20H15N3O.2C19H15N3OS.C18H13N3O2S.C17H12N4O2S.C12H8N2OS/c1-14-9-10-17(12-15(14)2)24-20(16-6-5-11-22-13-16)23-19-8-4-3-7-18(19)21(24)25;1-14-6-4-8-16(12-14)23-19(15-7-5-11-21-13-15)22-18-10-3-2-9-17(18)20(23)24;2*1-12-5-6-15(10-13(12)2)22-18(14-4-3-8-20-11-14)21-16-7-9-24-17(16)19(22)23;1-23-14-6-4-13(5-7-14)21-17(12-3-2-9-19-11-12)20-15-8-10-24-16(15)18(21)22;1-23-14-5-4-12(10-19-14)21-16(11-3-2-7-18-9-11)20-13-6-8-24-15(13)17(21)22;15-12-10-9(6-7-16-10)13-11(14-12)8-4-2-1-3-5-8/h3-13H,1-2H3;2-13H,1H3;2*3-11H,1-2H3;2-11H,1H3;2-10H,1H3;1-7H,(H,13,14,15).

What are the key properties of 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2207.62 g/mol, XLogP of 25.15, 15 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 167655955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).