7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one

C11H8FNO2 — CID 135063716

IUPAC7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)ccc2cc1C1CO1
InChIInChI=1S/C11H8FNO2/c12-7-2-1-6-3-8(10-5-15-10)11(14)13-9(6)4-7/h1-4,10H,5H2,(H,13,14)
InChIKeyDRUBNWCJKCMELQ-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.74
Rot. Bonds1

About 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one

7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one (PubChem CID 135063716) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one
PubChem CID135063716
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)ccc2cc1C1CO1
InChIInChI=1S/C11H8FNO2/c12-7-2-1-6-3-8(10-5-15-10)11(14)13-9(6)4-7/h1-4,10H,5H2,(H,13,14)
InChIKeyDRUBNWCJKCMELQ-UHFFFAOYSA-N
XLogP1.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
3-(methoxymethyl)-4-methyl-1H-quinolin-2-one
CID 162666837
Methyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 277384
(2-Hydroxyquinolin-3-yl)methyl acetate
CID 940702
7-Fluoro-3-(hydroxymethyl)-1,2-dihydroquinolin-2-one
CID 24276386
3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
3-Ethoxymethylquinolin-2-one
CID 119091123
3-(oxiran-2-yl)-1H-quinolin-2-one
CID 87791873
3-(1,4-Dioxan-2-yl)-1-methylquinolin-2-one
CID 156695648
3-Ethoxycarbonyl-6,7-difluorocarbostyril
CID 19957307
Ethyl 5-fluoro-2-oxo-1,2-dihydro-3-quinolinecarboxylate
CID 21891940
6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one
CID 22509368

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one (CID 135063716) is 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one is O=c1[nH]c2cc(F)ccc2cc1C1CO1.
What is the InChIKey of 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one?
The InChIKey is DRUBNWCJKCMELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-7-2-1-6-3-8(10-5-15-10)11(14)13-9(6)4-7/h1-4,10H,5H2,(H,13,14).
What are the key properties of 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one?
7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one has a molecular weight of 205.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135063716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).