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

C14H12FNO2S — CID 61080518

IUPAC7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3cccs3)c(F)cc2N1
InChIInChI=1S/C14H12FNO2S/c15-10-7-11-8(3-4-13(17)16-11)6-9(10)14(18)12-2-1-5-19-12/h1-2,5-7,14,18H,3-4H2,(H,16,17)
InChIKeyLIKOGELMAUPBFN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.85
Rot. Bonds2

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

7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080518) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080518
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3cccs3)c(F)cc2N1
InChIInChI=1S/C14H12FNO2S/c15-10-7-11-8(3-4-13(17)16-11)6-9(10)14(18)12-2-1-5-19-12/h1-2,5-7,14,18H,3-4H2,(H,16,17)
InChIKeyLIKOGELMAUPBFN-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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Related Compounds

3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide
CID 164632017
N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]oxane-4-carboxamide
CID 164634623
6-fluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678804
6,7-difluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678806
9-(3-fluoro-4-propylphenyl)-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678881
9-(4-butan-2-yl-3-fluorophenyl)-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678885
9-(3-fluoro-4-propylphenyl)-8-(hydroxymethyl)-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 89678915
9-[4-(2-aminoethyl)-3-fluorophenyl]-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678950
9-(3-fluoro-4-propan-2-ylphenyl)-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678955
9-(4-ethylphenyl)-6-fluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678970
9-[3-fluoro-4-(isocyanomethyl)phenyl]-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 123620320
methyl (2R,3S,4S)-4-hydroxy-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 178270386

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61080518) is 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)c3cccs3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LIKOGELMAUPBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c15-10-7-11-8(3-4-13(17)16-11)6-9(10)14(18)12-2-1-5-19-12/h1-2,5-7,14,18H,3-4H2,(H,16,17).
What are the key properties of 7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[hydroxy(thiophen-2-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-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).