5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline

C121H80Cl4F6N18S — CID 157238947

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline (PubChem CID 157238947) has the molecular formula C121H80Cl4F6N18S and a molecular weight of 2073.96 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline
• PubChem CID: 157238947
• Molecular Formula: C121H80Cl4F6N18S
• Molecular Weight: 2073.96 g/mol
• Exact Mass: 2070.52
• IUPAC Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline
• SMILES: Cc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncnc(C4CC4)c3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncncc3c2)cc1Cl.Fc1ccccc1-c1ncccc1-c1ccnc2ccccc12.Fc1ccccc1-c1ncccc1-c1ccncc1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(Cl)cc3Cl)cc12
• InChI: InChI=1S/C25H19FN4S.C22H15ClFN3.C20H13FN2.C19H11Cl2FN4.C19H11ClFN3.C16H11FN2/c1-16-10-19(2-4-22(16)26)25-21(18-3-5-23-24(11-18)31-15-30-23)12-20(14-29-25)28-13-17-6-8-27-9-7-17;23-18-11-15(5-7-19(18)24)22-16(2-1-9-25-22)14-6-8-20-17(10-14)21(13-3-4-13)27-12-26-20;21-18-9-3-1-7-17(18)20-16(8-5-12-23-20)14-11-13-22-19-10-4-2-6-15(14)19;20-14-8-15(21)16(22)7-12(14)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-16-9-13(3-5-17(16)21)19-15(2-1-7-23-19)12-4-6-18-14(8-12)10-22-11-24-18;17-15-6-2-1-4-14(15)16-13(5-3-9-19-16)12-7-10-18-11-8-12/h2-12,14-15,28H,13H2,1H3;1-2,5-13H,3-4H2;1-13H;1-9H,(H2,23,25,26);1-11H;1-11H
• InChIKey: AUZBFSFSQXABMI-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 244.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.96
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline?

The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline (CID 157238947) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline.

What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline?

The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline is Cc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncnc(C4CC4)c3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncncc3c2)cc1Cl.Fc1ccccc1-c1ncccc1-c1ccnc2ccccc12.Fc1ccccc1-c1ncccc1-c1ccncc1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(Cl)cc3Cl)cc12.

What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline?

The InChIKey is AUZBFSFSQXABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4S.C22H15ClFN3.C20H13FN2.C19H11Cl2FN4.C19H11ClFN3.C16H11FN2/c1-16-10-19(2-4-22(16)26)25-21(18-3-5-23-24(11-18)31-15-30-23)12-20(14-29-25)28-13-17-6-8-27-9-7-17;23-18-11-15(5-7-19(18)24)22-16(2-1-9-25-22)14-6-8-20-17(10-14)21(13-3-4-13)27-12-26-20;21-18-9-3-1-7-17(18)20-16(8-5-12-23-20)14-11-13-22-19-10-4-2-6-15(14)19;20-14-8-15(21)16(22)7-12(14)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-16-9-13(3-5-17(16)21)19-15(2-1-7-23-19)12-4-6-18-14(8-12)10-22-11-24-18;17-15-6-2-1-4-14(15)16-13(5-3-9-19-16)12-7-10-18-11-8-12/h2-12,14-15,28H,13H2,1H3;1-2,5-13H,3-4H2;1-13H;1-9H,(H2,23,25,26);1-11H;1-11H.

What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline?

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline has a molecular weight of 2073.96 g/mol, XLogP of 32.10, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline is sourced from PubChem (CID 157238947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).