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

C13H14FNO4 — CID 61329541

IUPAC2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H14FNO4/c14-10-6-11-9(1-2-12(16)15-11)5-8(10)3-4-19-7-13(17)18/h5-6H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyCITYMAAYSSXUFX-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.35
Rot. Bonds5

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

2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid (PubChem CID 61329541) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
PubChem CID61329541
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C13H14FNO4/c14-10-6-11-9(1-2-12(16)15-11)5-8(10)3-4-19-7-13(17)18/h5-6H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyCITYMAAYSSXUFX-UHFFFAOYSA-N
XLogP1.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 46786283
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119347987
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
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
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid (CID 61329541) is 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid is O=C(O)COCCc1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid?
The InChIKey is CITYMAAYSSXUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-10-6-11-9(1-2-12(16)15-11)5-8(10)3-4-19-7-13(17)18/h5-6H,1-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid?
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid has a molecular weight of 267.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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)ethoxy]acetic acid is sourced from PubChem (CID 61329541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).