8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C95H101ClF2N8O10S — CID 157053818

About 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 157053818) has the molecular formula C95H101ClF2N8O10S and a molecular weight of 1620.41 g/mol. Its IUPAC name is 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 157053818
• Molecular Formula: C95H101ClF2N8O10S
• Molecular Weight: 1620.41 g/mol
• Exact Mass: 1618.70
• IUPAC Name: 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: COc1ccc2c(OC(C)(C)C)cc(-c3ccc(F)cc3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(-c3cccc(F)c3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(C#N)nc2c1Cl
• InChI: InChI=1S/2C20H20FNO2.C20H25N3O2S.C20H21NO2.C15H15ClN2O2/c1-20(2,3)24-19-12-17(13-5-7-14(21)8-6-13)22-18-11-15(23-4)9-10-16(18)19;1-20(2,3)24-19-12-17(13-6-5-7-14(21)10-13)22-18-11-15(23-4)8-9-16(18)19;1-12(2)21-19-23-17(11-26-19)16-10-18(25-20(3,4)5)14-8-7-13(24-6)9-15(14)22-16;1-20(2,3)23-19-13-17(14-8-6-5-7-9-14)21-18-12-15(22-4)10-11-16(18)19;1-15(2,3)20-12-7-9(8-17)18-14-10(12)5-6-11(19-4)13(14)16/h2*5-12H,1-4H3;7-12H,1-6H3,(H,21,23);5-13H,1-4H3;5-7H,1-4H3
• InChIKey: AANADDCJIJWAKP-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 205.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.41
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 157053818) is 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is COc1ccc2c(OC(C)(C)C)cc(-c3ccc(F)cc3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(-c3cccc(F)c3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)(C)C)cc(C#N)nc2c1Cl.

What is the InChIKey of 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is AANADDCJIJWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20FNO2.C20H25N3O2S.C20H21NO2.C15H15ClN2O2/c1-20(2,3)24-19-12-17(13-5-7-14(21)8-6-13)22-18-11-15(23-4)9-10-16(18)19;1-20(2,3)24-19-12-17(13-6-5-7-14(21)10-13)22-18-11-15(23-4)8-9-16(18)19;1-12(2)21-19-23-17(11-26-19)16-10-18(25-20(3,4)5)14-8-7-13(24-6)9-15(14)22-16;1-20(2,3)23-19-13-17(14-8-6-5-7-9-14)21-18-12-15(22-4)10-11-16(18)19;1-15(2,3)20-12-7-9(8-17)18-14-10(12)5-6-11(19-4)13(14)16/h2*5-12H,1-4H3;7-12H,1-6H3,(H,21,23);5-13H,1-4H3;5-7H,1-4H3.

What are the key properties of 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1620.41 g/mol, XLogP of 24.85, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline-2-carbonitrile;2-(3-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;2-(4-fluorophenyl)-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-phenylquinoline;4-[7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 157053818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).