2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C94H121Cl4N15O8S4 — CID 158609314

About 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158609314) has the molecular formula C94H121Cl4N15O8S4 and a molecular weight of 1859.18 g/mol. Its IUPAC name is 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 158609314
• Molecular Formula: C94H121Cl4N15O8S4
• Molecular Weight: 1859.18 g/mol
• Exact Mass: 1855.72
• IUPAC Name: 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCCCC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCN(C)CC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CC[C@@H](C)C4)c(Cl)c3n2)cs1.COc1ccc2c(OC(C)C)cc(-c3nc(C(C)C)cs3)nc2c1Cl
• InChI: InChI=1S/C25H34ClN5O2S.2C25H33ClN4O2S.C19H21ClN2O2S/c1-16(2)27-25-29-20(15-34-25)19-14-22(33-17(3)4)18-6-7-21(23(26)24(18)28-19)32-13-12-31-10-8-30(5)9-11-31;1-15(2)27-25-29-20(14-33-25)19-12-22(32-16(3)4)18-6-7-21(23(26)24(18)28-19)31-11-10-30-9-8-17(5)13-30;1-16(2)27-25-29-20(15-33-25)19-14-22(32-17(3)4)18-8-9-21(23(26)24(18)28-19)31-13-12-30-10-6-5-7-11-30;1-10(2)14-9-25-19(22-14)13-8-16(24-11(3)4)12-6-7-15(23-5)17(20)18(12)21-13/h6-7,14-17H,8-13H2,1-5H3,(H,27,29);6-7,12,14-17H,8-11,13H2,1-5H3,(H,27,29);8-9,14-17H,5-7,10-13H2,1-4H3,(H,27,29);6-11H,1-5H3/t;17-;;/m.1../s1
• InChIKey: HWQBHKIAJJZNQR-QSPMGRJTSA-N
• XLogP: 24.00
• TPSA: 226.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.18
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 158609314) is 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCCCC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCN(C)CC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CC[C@@H](C)C4)c(Cl)c3n2)cs1.COc1ccc2c(OC(C)C)cc(-c3nc(C(C)C)cs3)nc2c1Cl.

What is the InChIKey of 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is HWQBHKIAJJZNQR-QSPMGRJTSA-N. The full InChI is InChI=1S/C25H34ClN5O2S.2C25H33ClN4O2S.C19H21ClN2O2S/c1-16(2)27-25-29-20(15-34-25)19-14-22(33-17(3)4)18-6-7-21(23(26)24(18)28-19)32-13-12-31-10-8-30(5)9-11-31;1-15(2)27-25-29-20(14-33-25)19-12-22(32-16(3)4)18-6-7-21(23(26)24(18)28-19)31-11-10-30-9-8-17(5)13-30;1-16(2)27-25-29-20(15-33-25)19-14-22(32-17(3)4)18-8-9-21(23(26)24(18)28-19)31-13-12-30-10-6-5-7-11-30;1-10(2)14-9-25-19(22-14)13-8-16(24-11(3)4)12-6-7-15(23-5)17(20)18(12)21-13/h6-7,14-17H,8-13H2,1-5H3,(H,27,29);6-7,12,14-17H,8-11,13H2,1-5H3,(H,27,29);8-9,14-17H,5-7,10-13H2,1-4H3,(H,27,29);6-11H,1-5H3/t;17-;;/m.1../s1.

What are the key properties of 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1859.18 g/mol, XLogP of 24.00, 32 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole;4-[8-chloro-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-piperidin-1-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158609314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).