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

C11H13FN2O — CID 84621055

IUPAC4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNCCC1CC(=O)Nc2c(F)cccc21
InChIInChI=1S/C11H13FN2O/c12-9-3-1-2-8-7(4-5-13)6-10(15)14-11(8)9/h1-3,7H,4-6,13H2,(H,14,15)
InChIKeyBIQSREQJIFPXRR-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.60
Rot. Bonds2

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

4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84621055) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID84621055
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNCCC1CC(=O)Nc2c(F)cccc21
InChIInChI=1S/C11H13FN2O/c12-9-3-1-2-8-7(4-5-13)6-10(15)14-11(8)9/h1-3,7H,4-6,13H2,(H,14,15)
InChIKeyBIQSREQJIFPXRR-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 84621055) is 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is NCCC1CC(=O)Nc2c(F)cccc21.
What is the InChIKey of 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BIQSREQJIFPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-1-2-8-7(4-5-13)6-10(15)14-11(8)9/h1-3,7H,4-6,13H2,(H,14,15).
What are the key properties of 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84621055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).