4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine

C113H151Cl3N22O10S3 — CID 159576609

About 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine

4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine (PubChem CID 159576609) has the molecular formula C113H151Cl3N22O10S3 and a molecular weight of 2180.15 g/mol. Its IUPAC name is 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine.

Molecular Properties

• Compound Name: 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine
• PubChem CID: 159576609
• Molecular Formula: C113H151Cl3N22O10S3
• Molecular Weight: 2180.15 g/mol
• Exact Mass: 2177.02
• IUPAC Name: 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine
• SMILES: CC(C)Nc1ccn(-c2cc(OC(C)C)c3ccc(OCCN4CCNCC4)cc3n2)n1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN(C)C)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCNCC4(C)C)c(Cl)c3n2)cs1.CCCOc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)cc(-c3nc(NC(C)C)sc3C)nc2c1Cl
• InChI: InChI=1S/C26H36ClN5O2S.C24H34N6O2.C22H29ClN4O2S.C21H28N4O2.C20H24ClN3O2S/c1-16(2)29-25-31-20(14-35-25)19-13-22(34-17(3)4)18-7-8-21(23(27)24(18)30-19)33-12-11-32-10-9-28-15-26(32,5)6;1-17(2)26-23-7-10-30(28-23)24-16-22(32-18(3)4)20-6-5-19(15-21(20)27-24)31-14-13-29-11-8-25-9-12-29;1-13(2)24-22-26-17(12-30-22)16-11-19(29-14(3)4)15-7-8-18(20(23)21(15)25-16)28-10-9-27(5)6;1-6-11-26-16-7-8-17-18(12-16)23-21(13-19(17)27-15(4)5)25-10-9-20(24-25)22-14(2)3;1-10(2)22-20-24-18(12(5)27-20)14-9-16(26-11(3)4)13-7-8-15(25-6)17(21)19(13)23-14/h7-8,13-14,16-17,28H,9-12,15H2,1-6H3,(H,29,31);5-7,10,15-18,25H,8-9,11-14H2,1-4H3,(H,26,28);7-8,11-14H,9-10H2,1-6H3,(H,24,26);7-10,12-15H,6,11H2,1-5H3,(H,22,24);7-11H,1-6H3,(H,22,24)
• InChIKey: MIMHSNVNYHSQHY-UHFFFAOYSA-N
• XLogP: 25.31
• TPSA: 324.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.15
LogP ≤ 5	25.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine?

The IUPAC name of 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine (CID 159576609) is 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine.

What is the SMILES notation for 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine?

The canonical SMILES for 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine is CC(C)Nc1ccn(-c2cc(OC(C)C)c3ccc(OCCN4CCNCC4)cc3n2)n1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN(C)C)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCNCC4(C)C)c(Cl)c3n2)cs1.CCCOc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.COc1ccc2c(OC(C)C)cc(-c3nc(NC(C)C)sc3C)nc2c1Cl.

What is the InChIKey of 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine?

The InChIKey is MIMHSNVNYHSQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN5O2S.C24H34N6O2.C22H29ClN4O2S.C21H28N4O2.C20H24ClN3O2S/c1-16(2)29-25-31-20(14-35-25)19-13-22(34-17(3)4)18-7-8-21(23(27)24(18)30-19)33-12-11-32-10-9-28-15-26(32,5)6;1-17(2)26-23-7-10-30(28-23)24-16-22(32-18(3)4)20-6-5-19(15-21(20)27-24)31-14-13-29-11-8-25-9-12-29;1-13(2)24-22-26-17(12-30-22)16-11-19(29-14(3)4)15-7-8-18(20(23)21(15)25-16)28-10-9-27(5)6;1-6-11-26-16-7-8-17-18(12-16)23-21(13-19(17)27-15(4)5)25-10-9-20(24-25)22-14(2)3;1-10(2)22-20-24-18(12(5)27-20)14-9-16(26-11(3)4)13-7-8-15(25-6)17(21)19(13)23-14/h7-8,13-14,16-17,28H,9-12,15H2,1-6H3,(H,29,31);5-7,10,15-18,25H,8-9,11-14H2,1-4H3,(H,26,28);7-8,11-14H,9-10H2,1-6H3,(H,24,26);7-10,12-15H,6,11H2,1-5H3,(H,22,24);7-11H,1-6H3,(H,22,24).

What are the key properties of 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine?

4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine has a molecular weight of 2180.15 g/mol, XLogP of 25.31, 41 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-chloro-7-[2-(dimethylamino)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-(2,2-dimethylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;1-[7-(2-piperazin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;N-propan-2-yl-1-(4-propan-2-yloxy-7-propoxyquinolin-2-yl)pyrazol-3-amine is sourced from PubChem (CID 159576609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).