2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid

C24H19FN2O5 — CID 25017639

IUPAC2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid
SMILESCOc1ccc2c(OCCn3cc(-c4ccc(C(=O)O)c(F)c4)ccc3=O)ccnc2c1
InChIInChI=1S/C24H19FN2O5/c1-31-17-4-6-19-21(13-17)26-9-8-22(19)32-11-10-27-14-16(3-7-23(27)28)15-2-5-18(24(29)30)20(25)12-15/h2-9,12-14H,10-11H2,1H3,(H,29,30)
InChIKeyUMZFCEJSAPTREZ-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.99
Rot. Bonds7

About 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid

2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid (PubChem CID 25017639) has the molecular formula C24H19FN2O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid
PubChem CID25017639
Molecular FormulaC24H19FN2O5
Molecular Weight434.42 g/mol
Exact Mass434.13
IUPAC Name2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid
SMILESCOc1ccc2c(OCCn3cc(-c4ccc(C(=O)O)c(F)c4)ccc3=O)ccnc2c1
InChIInChI=1S/C24H19FN2O5/c1-31-17-4-6-19-21(13-17)26-9-8-22(19)32-11-10-27-14-16(3-7-23(27)28)15-2-5-18(24(29)30)20(25)12-15/h2-9,12-14H,10-11H2,1H3,(H,29,30)
InChIKeyUMZFCEJSAPTREZ-UHFFFAOYSA-N
XLogP3.99
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid (CID 25017639) is 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid is COc1ccc2c(OCCn3cc(-c4ccc(C(=O)O)c(F)c4)ccc3=O)ccnc2c1.
What is the InChIKey of 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid?
The InChIKey is UMZFCEJSAPTREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5/c1-31-17-4-6-19-21(13-17)26-9-8-22(19)32-11-10-27-14-16(3-7-23(27)28)15-2-5-18(24(29)30)20(25)12-15/h2-9,12-14H,10-11H2,1H3,(H,29,30).
What are the key properties of 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid?
2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid has a molecular weight of 434.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzoic acid is sourced from PubChem (CID 25017639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).