4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride

C43H56Cl4N8O6S2 — CID 157463628

About 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride

4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride (PubChem CID 157463628) has the molecular formula C43H56Cl4N8O6S2 and a molecular weight of 986.92 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride.

Molecular Properties

• Compound Name: 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride
• PubChem CID: 157463628
• Molecular Formula: C43H56Cl4N8O6S2
• Molecular Weight: 986.92 g/mol
• Exact Mass: 984.25
• IUPAC Name: 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride
• SMILES: C.CC(C)Nc1nc(-c2cc(=O)c3ccc(O)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)cs1.Cl.ClCCN1CCOCC1
• InChI: InChI=1S/C21H25ClN4O3S.C15H14ClN3O2S.C6H12ClNO.CH4.ClH/c1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;1-7(2)17-15-19-10(6-22-15)9-5-12(21)8-3-4-11(20)13(16)14(8)18-9;7-1-2-8-3-5-9-6-4-8;;/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);3-7,20H,1-2H3,(H,17,19)(H,18,21);1-6H2;1H4;1H
• InChIKey: POLOGXSMHHVWFB-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 169.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.92
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride (CID 157463628) is 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride.

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

The canonical SMILES for 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride is C.CC(C)Nc1nc(-c2cc(=O)c3ccc(O)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)cs1.Cl.ClCCN1CCOCC1.

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

The InChIKey is POLOGXSMHHVWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S.C15H14ClN3O2S.C6H12ClNO.CH4.ClH/c1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;1-7(2)17-15-19-10(6-22-15)9-5-12(21)8-3-4-11(20)13(16)14(8)18-9;7-1-2-8-3-5-9-6-4-8;;/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);3-7,20H,1-2H3,(H,17,19)(H,18,21);1-6H2;1H4;1H.

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

4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride has a molecular weight of 986.92 g/mol, XLogP of 9.28, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloroethyl)morpholine;8-chloro-7-hydroxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;methane;hydrochloride is sourced from PubChem (CID 157463628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).