7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine

C107H81Cl2F4N15O2S — CID 162043298

About 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine (PubChem CID 162043298) has the molecular formula C107H81Cl2F4N15O2S and a molecular weight of 1787.89 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine.

Molecular Properties

• Compound Name: 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine
• PubChem CID: 162043298
• Molecular Formula: C107H81Cl2F4N15O2S
• Molecular Weight: 1787.89 g/mol
• Exact Mass: 1785.57
• IUPAC Name: 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine
• SMILES: Cc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)N(C)CCO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)N(C)CCO3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ccnc(N)c3c2)ccc1F.Nc1nccc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Nc1nccc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12
• InChI: InChI=1S/C24H20FN3O.C22H18FN3OS.C21H16FN3.C20H13ClFN3.C20H14ClN3/c1-15-12-18(5-7-20(15)25)23-19(14-22-24(27-23)29-11-10-28(22)2)16-6-8-21-17(13-16)4-3-9-26-21;1-13-9-15(3-5-17(13)23)21-16(11-19-22(25-21)27-8-7-26(19)2)14-4-6-18-20(10-14)28-12-24-18;1-13-11-16(6-7-19(13)22)20-17(3-2-9-24-20)15-5-4-14-8-10-25-21(23)18(14)12-15;21-17-11-14(5-6-18(17)22)19-15(2-1-8-24-19)13-4-3-12-7-9-25-20(23)16(12)10-13;21-16-4-1-3-15(11-16)19-17(5-2-9-23-19)14-7-6-13-8-10-24-20(22)18(13)12-14/h3-9,12-14H,10-11H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-12H,1H3,(H2,23,25);1-11H,(H2,23,25);1-12H,(H2,22,24)
• InChIKey: YXOHQYQQRBXQMW-UHFFFAOYSA-N
• XLogP: 26.07
• TPSA: 231.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1787.89
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

The IUPAC name of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine (CID 162043298) is 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine.

What is the SMILES notation for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

The canonical SMILES for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine is Cc1cc(-c2nc3c(cc2-c2ccc4ncccc4c2)N(C)CCO3)ccc1F.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)N(C)CCO3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ccnc(N)c3c2)ccc1F.Nc1nccc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Nc1nccc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.

What is the InChIKey of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

The InChIKey is YXOHQYQQRBXQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O.C22H18FN3OS.C21H16FN3.C20H13ClFN3.C20H14ClN3/c1-15-12-18(5-7-20(15)25)23-19(14-22-24(27-23)29-11-10-28(22)2)16-6-8-21-17(13-16)4-3-9-26-21;1-13-9-15(3-5-17(13)23)21-16(11-19-22(25-21)27-8-7-26(19)2)14-4-6-18-20(10-14)28-12-24-18;1-13-11-16(6-7-19(13)22)20-17(3-2-9-24-20)15-5-4-14-8-10-25-21(23)18(14)12-15;21-17-11-14(5-6-18(17)22)19-15(2-1-8-24-19)13-4-3-12-7-9-25-20(23)16(12)10-13;21-16-4-1-3-15(11-16)19-17(5-2-9-23-19)14-7-6-13-8-10-24-20(22)18(13)12-14/h3-9,12-14H,10-11H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;2-12H,1H3,(H2,23,25);1-11H,(H2,23,25);1-12H,(H2,22,24).

What are the key properties of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine has a molecular weight of 1787.89 g/mol, XLogP of 26.07, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;6-(4-fluoro-3-methylphenyl)-1-methyl-7-quinolin-6-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine is sourced from PubChem (CID 162043298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).