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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Related Compounds

2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
CID 61329541
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
CID 47044616
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119347987
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 60518431
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532220

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).