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

C15H20N2O — CID 116985538

IUPAC3-(3-aminobutyl)-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(CCC(C)N)cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-3-17-14-7-5-4-6-12(14)10-13(15(17)18)9-8-11(2)16/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyGDTDOFUEYHCHPA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

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

3-(3-aminobutyl)-1-ethylquinolin-2-one (PubChem CID 116985538) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(3-aminobutyl)-1-ethylquinolin-2-one.

Molecular Properties

Compound Name3-(3-aminobutyl)-1-ethylquinolin-2-one
PubChem CID116985538
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(3-aminobutyl)-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(CCC(C)N)cc2ccccc21
InChIInChI=1S/C15H20N2O/c1-3-17-14-7-5-4-6-12(14)10-13(15(17)18)9-8-11(2)16/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyGDTDOFUEYHCHPA-UHFFFAOYSA-N
XLogP2.30
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760
1-ethyl-3-(3-oxobutyl)quinolin-2-one
CID 116985576
3-(4-aminobutan-2-yl)-1-ethylquinolin-2-one
CID 116985536
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
3-bromo-1-ethylquinolin-2-one
CID 116985609
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
CID 63021498
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
1-[1-(2-methylpropyl)indol-2-yl]ethanamine
CID 115107050
2-(1-ethylindol-2-yl)acetamide
CID 67469018
3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one
CID 65096820

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutyl)-1-ethylquinolin-2-one?
The IUPAC name of 3-(3-aminobutyl)-1-ethylquinolin-2-one (CID 116985538) is 3-(3-aminobutyl)-1-ethylquinolin-2-one.
What is the SMILES notation for 3-(3-aminobutyl)-1-ethylquinolin-2-one?
The canonical SMILES for 3-(3-aminobutyl)-1-ethylquinolin-2-one is CCn1c(=O)c(CCC(C)N)cc2ccccc21.
What is the InChIKey of 3-(3-aminobutyl)-1-ethylquinolin-2-one?
The InChIKey is GDTDOFUEYHCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-17-14-7-5-4-6-12(14)10-13(15(17)18)9-8-11(2)16/h4-7,10-11H,3,8-9,16H2,1-2H3.
What are the key properties of 3-(3-aminobutyl)-1-ethylquinolin-2-one?
3-(3-aminobutyl)-1-ethylquinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutyl)-1-ethylquinolin-2-one is sourced from PubChem (CID 116985538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).