1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one

C16H22N2O — CID 82167955

IUPAC1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one
SMILESCCC(N)Cn1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C16H22N2O/c1-5-13(17)9-18-15(19)8-11(3)14-7-10(2)6-12(4)16(14)18/h6-8,13H,5,9,17H2,1-4H3
InChIKeyCMSBSIWKBFXKEJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one

1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one (PubChem CID 82167955) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one
PubChem CID82167955
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one
SMILESCCC(N)Cn1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C16H22N2O/c1-5-13(17)9-18-15(19)8-11(3)14-7-10(2)6-12(4)16(14)18/h6-8,13H,5,9,17H2,1-4H3
InChIKeyCMSBSIWKBFXKEJ-UHFFFAOYSA-N
XLogP2.66
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one?
The IUPAC name of 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one (CID 82167955) is 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one is CCC(N)Cn1c(=O)cc(C)c2cc(C)cc(C)c21.
What is the InChIKey of 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one?
The InChIKey is CMSBSIWKBFXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-13(17)9-18-15(19)8-11(3)14-7-10(2)6-12(4)16(14)18/h6-8,13H,5,9,17H2,1-4H3.
What are the key properties of 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one?
1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-4,6,8-trimethylquinolin-2-one is sourced from PubChem (CID 82167955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).