6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one

C12H14FNO2 — CID 82174262

IUPAC6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1cc(F)cc2c1NC(=O)CC2
InChIInChI=1S/C12H14FNO2/c1-2-10(15)9-6-8(13)5-7-3-4-11(16)14-12(7)9/h5-6,10,15H,2-4H2,1H3,(H,14,16)
InChIKeyYIHKLTOEYWEITI-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.15
Rot. Bonds2

About 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one

6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174262) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174262
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1cc(F)cc2c1NC(=O)CC2
InChIInChI=1S/C12H14FNO2/c1-2-10(15)9-6-8(13)5-7-3-4-11(16)14-12(7)9/h5-6,10,15H,2-4H2,1H3,(H,14,16)
InChIKeyYIHKLTOEYWEITI-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174281
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174296
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-8-carboxylic acid
CID 82104959
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173521
7,8-difluoro-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 166091425
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one (CID 82174262) is 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one is CCC(O)c1cc(F)cc2c1NC(=O)CC2.
What is the InChIKey of 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YIHKLTOEYWEITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-10(15)9-6-8(13)5-7-3-4-11(16)14-12(7)9/h5-6,10,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).