7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one

C12H14FNO — CID 105460306

IUPAC7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C12H14FNO/c1-2-3-8-6-12(15)14-11-7-9(13)4-5-10(8)11/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyQHJHEOJOIPIJLB-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.05
Rot. Bonds2

About 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one

7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 105460306) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID105460306
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C12H14FNO/c1-2-3-8-6-12(15)14-11-7-9(13)4-5-10(8)11/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyQHJHEOJOIPIJLB-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 105463693
N-ethyl-7-fluoro-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24657368
(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110571
(4S)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110572
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
(4R)-7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51484758
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one (CID 105460306) is 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one is CCCC1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QHJHEOJOIPIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-3-8-6-12(15)14-11-7-9(13)4-5-10(8)11/h4-5,7-8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 207.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 105460306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).