4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane

C117H151Cl5F3N19O13S3 — CID 157216949

About 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane

4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane (PubChem CID 157216949) has the molecular formula C117H151Cl5F3N19O13S3 and a molecular weight of 2362.07 g/mol. Its IUPAC name is 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane.

Molecular Properties

• Compound Name: 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane
• PubChem CID: 157216949
• Molecular Formula: C117H151Cl5F3N19O13S3
• Molecular Weight: 2362.07 g/mol
• Exact Mass: 2357.93
• IUPAC Name: 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane
• SMILES: C.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCCCC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCN(CC(F)(F)F)CC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CC[C@@H](C)C4)c(Cl)c3n2)cs1.COCCOc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl
• InChI: InChI=1S/C26H33ClF3N5O2S.2C25H33ClN4O2S.C21H26ClN3O4.C19H22ClN3O3.CH4/c1-16(2)31-25-33-20(14-38-25)19-13-22(37-17(3)4)18-5-6-21(23(27)24(18)32-19)36-12-11-34-7-9-35(10-8-34)15-26(28,29)30;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;1-12(2)23-21-25-16(11-28-21)15-10-18(29-13(3)4)14-6-7-17(27-9-8-26-5)19(22)20(14)24-15;1-10(2)21-19-23-14(9-25-19)13-8-16(26-11(3)4)12-6-7-15(24-5)17(20)18(12)22-13;/h5-6,13-14,16-17H,7-12,15H2,1-4H3,(H,31,33);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);6-7,10-13H,8-9H2,1-5H3,(H,23,25);6-11H,1-5H3,(H,21,23);1H4/t;17-;;;;/m.1..../s1
• InChIKey: ASNMGXVICZOLBF-IQTGGXRUSA-N
• XLogP: 29.97
• TPSA: 329.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 43
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2362.07
LogP ≤ 5	29.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane?

The IUPAC name of 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane (CID 157216949) is 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane.

What is the SMILES notation for 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane?

The canonical SMILES for 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane is C.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCCCC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCN(CC(F)(F)F)CC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CC[C@@H](C)C4)c(Cl)c3n2)cs1.COCCOc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl.

What is the InChIKey of 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane?

The InChIKey is ASNMGXVICZOLBF-IQTGGXRUSA-N. The full InChI is InChI=1S/C26H33ClF3N5O2S.2C25H33ClN4O2S.C21H26ClN3O4.C19H22ClN3O3.CH4/c1-16(2)31-25-33-20(14-38-25)19-13-22(37-17(3)4)18-5-6-21(23(27)24(18)32-19)36-12-11-34-7-9-35(10-8-34)15-26(28,29)30;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;1-12(2)23-21-25-16(11-28-21)15-10-18(29-13(3)4)14-6-7-17(27-9-8-26-5)19(22)20(14)24-15;1-10(2)21-19-23-14(9-25-19)13-8-16(26-11(3)4)12-6-7-15(24-5)17(20)18(12)22-13;/h5-6,13-14,16-17H,7-12,15H2,1-4H3,(H,31,33);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);6-7,10-13H,8-9H2,1-5H3,(H,23,25);6-11H,1-5H3,(H,21,23);1H4/t;17-;;;;/m.1..../s1.

What are the key properties of 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane?

4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane has a molecular weight of 2362.07 g/mol, XLogP of 29.97, 43 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-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;4-[8-chloro-4-propan-2-yloxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;methane is sourced from PubChem (CID 157216949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).