6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C10H9ClFNO — CID 43457700

IUPAC6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCl)c(F)cc2N1
InChIInChI=1S/C10H9ClFNO/c11-5-7-3-6-1-2-10(14)13-9(6)4-8(7)12/h3-4H,1-2,5H2,(H,13,14)
InChIKeyUKUGIOLNOKJGTF-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.45
Rot. Bonds1

About 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457700) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457700
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCl)c(F)cc2N1
InChIInChI=1S/C10H9ClFNO/c11-5-7-3-6-1-2-10(14)13-9(6)4-8(7)12/h3-4H,1-2,5H2,(H,13,14)
InChIKeyUKUGIOLNOKJGTF-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.45
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

2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethoxy]acetic acid
CID 61329541
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
5-ethyl-6-fluoro-1,3-dihydroindol-2-one
CID 70647760
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103207168
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457700) is 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCl)c(F)cc2N1.
What is the InChIKey of 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UKUGIOLNOKJGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-5-7-3-6-1-2-10(14)13-9(6)4-8(7)12/h3-4H,1-2,5H2,(H,13,14).
What are the key properties of 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 213.64 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).