(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate

C11H10FNO3 — CID 151634733

IUPAC(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
SMILESCC(=O)Oc1ccc(F)c2c1CCC(=O)N2
InChIInChI=1S/C11H10FNO3/c1-6(14)16-9-4-3-8(12)11-7(9)2-5-10(15)13-11/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyQRGKTJUKYRLCLF-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.64
Rot. Bonds1

About (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate

(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate (PubChem CID 151634733) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate.

Molecular Properties

Compound Name(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
PubChem CID151634733
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
SMILESCC(=O)Oc1ccc(F)c2c1CCC(=O)N2
InChIInChI=1S/C11H10FNO3/c1-6(14)16-9-4-3-8(12)11-7(9)2-5-10(15)13-11/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyQRGKTJUKYRLCLF-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,6S)-6-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 118904728
tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate
CID 138677562
8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118905031
8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 118903860
5-[[(3R,4R)-1-(2-cyclopropylacetyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 175894702
[1-(5-chloro-3-fluoro-2-pyridinyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-4-hydroxypiperidin-3-yl] acetate
CID 118903966
1-(2,5-dichlorophenyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]piperidine-4-carboxylic acid
CID 118905119
8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 118905232
(4-acetyloxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 152625052
5-[[(3R,4S)-1-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxy-3-methylpiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118905028
5-[[1-(2,3-dichlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904206
[5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] acetate
CID 68877687

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate?
The IUPAC name of (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate (CID 151634733) is (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate.
What is the SMILES notation for (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate?
The canonical SMILES for (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate is CC(=O)Oc1ccc(F)c2c1CCC(=O)N2.
What is the InChIKey of (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate?
The InChIKey is QRGKTJUKYRLCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-6(14)16-9-4-3-8(12)11-7(9)2-5-10(15)13-11/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate?
(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate has a molecular weight of 223.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate is sourced from PubChem (CID 151634733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).