3-(2-aminoethyl)-1-ethylquinolin-2-one

C13H16N2O — CID 102537317

IUPAC3-(2-aminoethyl)-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(CCN)cc2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-15-12-6-4-3-5-10(12)9-11(7-8-14)13(15)16/h3-6,9H,2,7-8,14H2,1H3
InChIKeyUILZLEQVMKGRAO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds3

About 3-(2-aminoethyl)-1-ethylquinolin-2-one

3-(2-aminoethyl)-1-ethylquinolin-2-one (PubChem CID 102537317) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-ethylquinolin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-ethylquinolin-2-one
PubChem CID102537317
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(2-aminoethyl)-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(CCN)cc2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-15-12-6-4-3-5-10(12)9-11(7-8-14)13(15)16/h3-6,9H,2,7-8,14H2,1H3
InChIKeyUILZLEQVMKGRAO-UHFFFAOYSA-N
XLogP1.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminobutyl)-1-ethylquinolin-2-one
CID 116985538
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760
1-ethyl-3-(3-oxobutyl)quinolin-2-one
CID 116985576
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
3-(4-aminobutan-2-yl)-1-ethylquinolin-2-one
CID 116985536
3-bromo-1-ethylquinolin-2-one
CID 116985609
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one
CID 65096820
3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
CID 63019050
2-(1-ethylindol-2-yl)acetamide
CID 67469018
2-[3-(aminomethyl)-2-oxoquinolin-1-yl]-N-propylacetamide
CID 63021327
3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
CID 63021498

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-ethylquinolin-2-one?
The IUPAC name of 3-(2-aminoethyl)-1-ethylquinolin-2-one (CID 102537317) is 3-(2-aminoethyl)-1-ethylquinolin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1-ethylquinolin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1-ethylquinolin-2-one is CCn1c(=O)c(CCN)cc2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-1-ethylquinolin-2-one?
The InChIKey is UILZLEQVMKGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-15-12-6-4-3-5-10(12)9-11(7-8-14)13(15)16/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of 3-(2-aminoethyl)-1-ethylquinolin-2-one?
3-(2-aminoethyl)-1-ethylquinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-ethylquinolin-2-one is sourced from PubChem (CID 102537317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).