7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C14H12FNO2S — CID 61081079

IUPAC7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccsc3)c(F)cc2N1
InChIInChI=1S/C14H12FNO2S/c15-11-6-12-8(1-2-13(17)16-12)5-10(11)14(18)9-3-4-19-7-9/h3-7,14,18H,1-2H2,(H,16,17)
InChIKeyZPUMFVPDHKHRJS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.85
Rot. Bonds2

About 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61081079) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61081079
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccsc3)c(F)cc2N1
InChIInChI=1S/C14H12FNO2S/c15-11-6-12-8(1-2-13(17)16-12)5-10(11)14(18)9-3-4-19-7-9/h3-7,14,18H,1-2H2,(H,16,17)
InChIKeyZPUMFVPDHKHRJS-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61081079) is 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)c3ccsc3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZPUMFVPDHKHRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c15-11-6-12-8(1-2-13(17)16-12)5-10(11)14(18)9-3-4-19-7-9/h3-7,14,18H,1-2H2,(H,16,17).
What are the key properties of 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61081079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).