8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one

C14H17FN2O — CID 84633123

IUPAC8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
SMILESCNCCc1c(C)c2cccc(F)c2n(C)c1=O
InChIInChI=1S/C14H17FN2O/c1-9-10-5-4-6-12(15)13(10)17(3)14(18)11(9)7-8-16-2/h4-6,16H,7-8H2,1-3H3
InChIKeyKIECKANUNZHIQP-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.75
Rot. Bonds3

About 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one

8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one (PubChem CID 84633123) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
PubChem CID84633123
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
SMILESCNCCc1c(C)c2cccc(F)c2n(C)c1=O
InChIInChI=1S/C14H17FN2O/c1-9-10-5-4-6-12(15)13(10)17(3)14(18)11(9)7-8-16-2/h4-6,16H,7-8H2,1-3H3
InChIKeyKIECKANUNZHIQP-UHFFFAOYSA-N
XLogP1.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84639727
8-ethyl-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84637259
8-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623267
3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one
CID 84634094
6-methoxy-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84638183
N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82498818
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264812
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one
CID 105477204

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one?
The IUPAC name of 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one (CID 84633123) is 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one.
What is the SMILES notation for 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one?
The canonical SMILES for 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one is CNCCc1c(C)c2cccc(F)c2n(C)c1=O.
What is the InChIKey of 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one?
The InChIKey is KIECKANUNZHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9-10-5-4-6-12(15)13(10)17(3)14(18)11(9)7-8-16-2/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one?
8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one has a molecular weight of 248.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one is sourced from PubChem (CID 84633123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).