6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone

C70H60BrCl2F2N3O8 — CID 159540315

About 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone

6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone (PubChem CID 159540315) has the molecular formula C70H60BrCl2F2N3O8 and a molecular weight of 1260.07 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone.

Molecular Properties

• Compound Name: 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone
• PubChem CID: 159540315
• Molecular Formula: C70H60BrCl2F2N3O8
• Molecular Weight: 1260.07 g/mol
• Exact Mass: 1257.29
• IUPAC Name: 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone
• SMILES: COc1cc2c(Cl)ccnc2cc1C.COc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3)ccnc2cc1C.Cc1cc2nccc(Cl)c2cc1Br.O=C(Cc1ccc(O)cc1)C1(C(=O)Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C30H26FNO4.C19H17FO3.C11H10ClNO.C10H7BrClN/c1-19-15-25-24(18-27(19)35-2)26(11-14-32-25)36-23-9-5-21(6-10-23)17-29(34)30(12-13-30)28(33)16-20-3-7-22(31)8-4-20;20-15-5-1-13(2-6-15)11-17(22)19(9-10-19)18(23)12-14-3-7-16(21)8-4-14;1-7-5-10-8(6-11(7)14-2)9(12)3-4-13-10;1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h3-11,14-15,18H,12-13,16-17H2,1-2H3;1-8,21H,9-12H2;3-6H,1-2H3;2-5H,1H3
• InChIKey: MECSKCJZQZMIQS-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 154.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.07
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone?

The IUPAC name of 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone (CID 159540315) is 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone.

What is the SMILES notation for 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone?

The canonical SMILES for 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone is COc1cc2c(Cl)ccnc2cc1C.COc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3)ccnc2cc1C.Cc1cc2nccc(Cl)c2cc1Br.O=C(Cc1ccc(O)cc1)C1(C(=O)Cc2ccc(F)cc2)CC1.

What is the InChIKey of 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone?

The InChIKey is MECSKCJZQZMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FNO4.C19H17FO3.C11H10ClNO.C10H7BrClN/c1-19-15-25-24(18-27(19)35-2)26(11-14-32-25)36-23-9-5-21(6-10-23)17-29(34)30(12-13-30)28(33)16-20-3-7-22(31)8-4-20;20-15-5-1-13(2-6-15)11-17(22)19(9-10-19)18(23)12-14-3-7-16(21)8-4-14;1-7-5-10-8(6-11(7)14-2)9(12)3-4-13-10;1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h3-11,14-15,18H,12-13,16-17H2,1-2H3;1-8,21H,9-12H2;3-6H,1-2H3;2-5H,1H3.

What are the key properties of 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone?

6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone has a molecular weight of 1260.07 g/mol, XLogP of 16.59, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 159540315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).