2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid

C13H12FNO5 — CID 61327398

IUPAC2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H12FNO5/c14-9-4-10-7(1-2-12(17)15-10)3-8(9)11(16)5-20-6-13(18)19/h3-4H,1-2,5-6H2,(H,15,17)(H,18,19)
InChIKeySCHHZUNNPCTAFO-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid

2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid (PubChem CID 61327398) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
PubChem CID61327398
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H12FNO5/c14-9-4-10-7(1-2-12(17)15-10)3-8(9)11(16)5-20-6-13(18)19/h3-4H,1-2,5-6H2,(H,15,17)(H,18,19)
InChIKeySCHHZUNNPCTAFO-UHFFFAOYSA-N
XLogP0.99
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid (CID 61327398) is 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid?
The InChIKey is SCHHZUNNPCTAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-9-4-10-7(1-2-12(17)15-10)3-8(9)11(16)5-20-6-13(18)19/h3-4H,1-2,5-6H2,(H,15,17)(H,18,19).
What are the key properties of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid?
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid has a molecular weight of 281.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).