6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C16H19ClFNO — CID 107182090

IUPAC6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCCC1C(Cl)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H19ClFNO/c1-9-3-2-4-11(9)16(17)12-7-10-5-6-15(20)19-14(10)8-13(12)18/h7-9,11,16H,2-6H2,1H3,(H,19,20)
InChIKeyCGKVYYUYJIKPFL-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.43
Rot. Bonds2

About 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107182090) has the molecular formula C16H19ClFNO and a molecular weight of 295.79 g/mol. Its IUPAC name is 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID107182090
Molecular FormulaC16H19ClFNO
Molecular Weight295.79 g/mol
Exact Mass295.11
IUPAC Name6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCCC1C(Cl)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C16H19ClFNO/c1-9-3-2-4-11(9)16(17)12-7-10-5-6-15(20)19-14(10)8-13(12)18/h7-9,11,16H,2-6H2,1H3,(H,19,20)
InChIKeyCGKVYYUYJIKPFL-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[chloro(oxan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62215355
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487536
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
6-[bromo(cycloheptyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442796
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
6-[chloro-(3-methylphenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086076
1-bromo-2-chloro-4-[chloro-(2-methylcyclopentyl)methyl]-5-fluorobenzene
CID 107182658
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[(4-chlorophenyl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61080517
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 107182090) is 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CC1CCCC1C(Cl)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CGKVYYUYJIKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-9-3-2-4-11(9)16(17)12-7-10-5-6-15(20)19-14(10)8-13(12)18/h7-9,11,16H,2-6H2,1H3,(H,19,20).
What are the key properties of 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 295.79 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107182090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).