4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione

C₇₅H₆₈Cl₃FN₆O₁₂ — CID 158425774

About 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione

4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione (PubChem CID 158425774) has the molecular formula C₇₅H₆₈Cl₃FN₆O₁₂ and a molecular weight of 1370.76 g/mol. Its IUPAC name is 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione.

Molecular Properties

• Compound Name: 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione
• PubChem CID: 158425774
• Molecular Formula: C₇₅H₆₈Cl₃FN₆O₁₂
• Molecular Weight: 1370.76 g/mol
• Exact Mass: 1368.39
• IUPAC Name: 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione
• SMILES: COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(=O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2cccnc12
• InChI: InChI=1S/C29H24ClFN2O4.C23H23ClN2O4.C23H21ClN2O4/c1-29(2)15-37-28-19(29)14-22(33-27(28)17-6-7-21(31)20(30)12-17)24(35)9-8-23(34)18-11-16-5-4-10-32-26(16)25(13-18)36-3;2*1-23(2)12-30-21-15(23)11-16(26-22(21)24)18(28)7-6-17(27)14-9-13-5-4-8-25-20(13)19(10-14)29-3/h4-7,10-14H,8-9,15H2,1-3H3;4-5,8-11,18,28H,6-7,12H2,1-3H3;4-5,8-11H,6-7,12H2,1-3H3
• InChIKey: HBAKVUKEZCAZEJ-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 238.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.76
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione?

The IUPAC name of 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione (CID 158425774) is 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione.

What is the SMILES notation for 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione?

The canonical SMILES for 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione is COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(=O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2cccnc12.

What is the InChIKey of 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione?

The InChIKey is HBAKVUKEZCAZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN2O4.C23H23ClN2O4.C23H21ClN2O4/c1-29(2)15-37-28-19(29)14-22(33-27(28)17-6-7-21(31)20(30)12-17)24(35)9-8-23(34)18-11-16-5-4-10-32-26(16)25(13-18)36-3;2*1-23(2)12-30-21-15(23)11-16(26-22(21)24)18(28)7-6-17(27)14-9-13-5-4-8-25-20(13)19(10-14)29-3/h4-7,10-14H,8-9,15H2,1-3H3;4-5,8-11,18,28H,6-7,12H2,1-3H3;4-5,8-11H,6-7,12H2,1-3H3.

What are the key properties of 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione?

4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione has a molecular weight of 1370.76 g/mol, XLogP of 16.08, 19 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione is sourced from PubChem (CID 158425774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158425774 — identifiers, structure, computed properties (public domain)

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