2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid

C18H14FNO4 — CID 82108370

IUPAC2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)ccc2cccc(OCc3ccccc3F)c21
InChIInChI=1S/C18H14FNO4/c19-14-6-2-1-4-13(14)11-24-15-7-3-5-12-8-9-16(21)20(18(12)15)10-17(22)23/h1-9H,10-11H2,(H,22,23)
InChIKeyDSTICVQUONHRDU-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.80
Rot. Bonds5

About 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid

2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid (PubChem CID 82108370) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid
PubChem CID82108370
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)ccc2cccc(OCc3ccccc3F)c21
InChIInChI=1S/C18H14FNO4/c19-14-6-2-1-4-13(14)11-24-15-7-3-5-12-8-9-16(21)20(18(12)15)10-17(22)23/h1-9H,10-11H2,(H,22,23)
InChIKeyDSTICVQUONHRDU-UHFFFAOYSA-N
XLogP2.80
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8707038
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CID 22683234
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2-[5-[(2-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820051
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
CID 43327857
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
2-[(2-fluorophenoxy)methyl]-6-nitrobenzoic acid
CID 104825111
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide
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2-(2-fluorophenoxy)-N',N'-diphenylacetohydrazide
CID 8886595

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid?
The IUPAC name of 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid (CID 82108370) is 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid is O=C(O)Cn1c(=O)ccc2cccc(OCc3ccccc3F)c21.
What is the InChIKey of 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid?
The InChIKey is DSTICVQUONHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c19-14-6-2-1-4-13(14)11-24-15-7-3-5-12-8-9-16(21)20(18(12)15)10-17(22)23/h1-9H,10-11H2,(H,22,23).
What are the key properties of 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid?
2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid has a molecular weight of 327.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-fluorophenyl)methoxy]-2-oxoquinolin-1-yl]acetic acid is sourced from PubChem (CID 82108370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).