8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine

C42H47Cl3N6O5S2 — CID 157268092

About 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine

8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine (PubChem CID 157268092) has the molecular formula C42H47Cl3N6O5S2 and a molecular weight of 886.37 g/mol. Its IUPAC name is 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine.

Molecular Properties

• Compound Name: 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine
• PubChem CID: 157268092
• Molecular Formula: C42H47Cl3N6O5S2
• Molecular Weight: 886.37 g/mol
• Exact Mass: 884.21
• IUPAC Name: 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine
• SMILES: CC(C)c1csc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)n1.CC(C)c1csc(-c2cc(Cl)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)n1
• InChI: InChI=1S/C21H23Cl2N3O2S.C21H24ClN3O3S/c1-13(2)17-12-29-21(25-17)16-11-15(22)14-3-4-18(19(23)20(14)24-16)28-10-7-26-5-8-27-9-6-26;1-13(2)16-12-29-21(24-16)15-11-17(26)14-3-4-18(19(22)20(14)23-15)28-10-7-25-5-8-27-9-6-25/h3-4,11-13H,5-10H2,1-2H3;3-4,11-13H,5-10H2,1-2H3,(H,23,26)
• InChIKey: AYFLFUGZYHHPHQ-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 114.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.37
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine?

The IUPAC name of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine (CID 157268092) is 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine.

What is the SMILES notation for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine?

The canonical SMILES for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine is CC(C)c1csc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)n1.CC(C)c1csc(-c2cc(Cl)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)n1.

What is the InChIKey of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine?

The InChIKey is AYFLFUGZYHHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2S.C21H24ClN3O3S/c1-13(2)17-12-29-21(25-17)16-11-15(22)14-3-4-18(19(23)20(14)24-16)28-10-7-26-5-8-27-9-6-26;1-13(2)16-12-29-21(24-16)15-11-17(26)14-3-4-18(19(22)20(14)23-15)28-10-7-25-5-8-27-9-6-25/h3-4,11-13H,5-10H2,1-2H3;3-4,11-13H,5-10H2,1-2H3,(H,23,26).

What are the key properties of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine?

8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine has a molecular weight of 886.37 g/mol, XLogP of 9.64, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-[2-[4,8-dichloro-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-7-yl]oxyethyl]morpholine is sourced from PubChem (CID 157268092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).