2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid

C18H22FNO3 — CID 66974781

IUPAC2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid
SMILESCc1cnc2c(F)cc(C(C)(C)C)cc2c1COC(C)C(=O)O
InChIInChI=1S/C18H22FNO3/c1-10-8-20-16-13(14(10)9-23-11(2)17(21)22)6-12(7-15(16)19)18(3,4)5/h6-8,11H,9H2,1-5H3,(H,21,22)
InChIKeyRCBYPUZTINHZQB-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.97
Rot. Bonds4

About 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid

2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid (PubChem CID 66974781) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid
PubChem CID66974781
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid
SMILESCc1cnc2c(F)cc(C(C)(C)C)cc2c1COC(C)C(=O)O
InChIInChI=1S/C18H22FNO3/c1-10-8-20-16-13(14(10)9-23-11(2)17(21)22)6-12(7-15(16)19)18(3,4)5/h6-8,11H,9H2,1-5H3,(H,21,22)
InChIKeyRCBYPUZTINHZQB-UHFFFAOYSA-N
XLogP3.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid?
The IUPAC name of 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid (CID 66974781) is 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid.
What is the SMILES notation for 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid?
The canonical SMILES for 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid is Cc1cnc2c(F)cc(C(C)(C)C)cc2c1COC(C)C(=O)O.
What is the InChIKey of 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid?
The InChIKey is RCBYPUZTINHZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-10-8-20-16-13(14(10)9-23-11(2)17(21)22)6-12(7-15(16)19)18(3,4)5/h6-8,11H,9H2,1-5H3,(H,21,22).
What are the key properties of 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid?
2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid has a molecular weight of 319.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid is sourced from PubChem (CID 66974781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).