ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid

C33H51FN2O6 — CID 143120826

About ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid

ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid (PubChem CID 143120826) has the molecular formula C33H51FN2O6 and a molecular weight of 590.78 g/mol. Its IUPAC name is ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid.

Molecular Properties

• Compound Name: ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
• PubChem CID: 143120826
• Molecular Formula: C33H51FN2O6
• Molecular Weight: 590.78 g/mol
• Exact Mass: 590.37
• IUPAC Name: ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
• SMILES: CC.CC.CC.CC.CC.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC(O)CC(=O)O
• InChI: InChI=1S/C23H21FN2O6.5C2H6/c1-12-7-15-16(26-12)3-4-19(23(15)24)32-18-5-6-25-17-10-21(20(30-2)9-14(17)18)31-11-13(27)8-22(28)29;5*1-2/h3-7,9-10,13,26-27H,8,11H2,1-2H3,(H,28,29);5*1-2H3
• InChIKey: CHDVTNRWVQAVLY-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 113.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.78
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid?

The IUPAC name of ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid (CID 143120826) is ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid.

What is the SMILES notation for ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid?

The canonical SMILES for ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid is CC.CC.CC.CC.CC.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC(O)CC(=O)O.

What is the InChIKey of ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid?

The InChIKey is CHDVTNRWVQAVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O6.5C2H6/c1-12-7-15-16(26-12)3-4-19(23(15)24)32-18-5-6-25-17-10-21(20(30-2)9-14(17)18)31-11-13(27)8-22(28)29;5*1-2/h3-7,9-10,13,26-27H,8,11H2,1-2H3,(H,28,29);5*1-2H3.

What are the key properties of ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid?

ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid has a molecular weight of 590.78 g/mol, XLogP of 9.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid is sourced from PubChem (CID 143120826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).