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

C30H37FN2O7 — CID 143120871

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

ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene (PubChem CID 143120871) has the molecular formula C30H37FN2O7 and a molecular weight of 556.63 g/mol. Its IUPAC name is ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene.

Molecular Properties

• Compound Name: ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene
• PubChem CID: 143120871
• Molecular Formula: C30H37FN2O7
• Molecular Weight: 556.63 g/mol
• Exact Mass: 556.26
• IUPAC Name: ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene
• SMILES: C=CC.CC.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC(O)CC(O)CC(=O)O
• InChI: InChI=1S/C25H25FN2O7.C3H6.C2H6/c1-13-7-17-18(28-13)3-4-21(25(17)26)35-20-5-6-27-19-11-23(22(33-2)10-16(19)20)34-12-15(30)8-14(29)9-24(31)32;1-3-2;1-2/h3-7,10-11,14-15,28-30H,8-9,12H2,1-2H3,(H,31,32);3H,1H2,2H3;1-2H3
• InChIKey: UQHLEFUJBJXIMK-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 134.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene (CID 143120871) is ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene.

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

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

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

The InChIKey is UQHLEFUJBJXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O7.C3H6.C2H6/c1-13-7-17-18(28-13)3-4-21(25(17)26)35-20-5-6-27-19-11-23(22(33-2)10-16(19)20)34-12-15(30)8-14(29)9-24(31)32;1-3-2;1-2/h3-7,10-11,14-15,28-30H,8-9,12H2,1-2H3,(H,31,32);3H,1H2,2H3;1-2H3.

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

ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene has a molecular weight of 556.63 g/mol, XLogP of 6.15, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene is sourced from PubChem (CID 143120871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).