3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one

C14H18N2O — CID 84626184

IUPAC3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
SMILESCc1ccc(C)c2c1cc(C(C)N)c(=O)n2C
InChIInChI=1S/C14H18N2O/c1-8-5-6-9(2)13-11(8)7-12(10(3)15)14(17)16(13)4/h5-7,10H,15H2,1-4H3
InChIKeyWYLBRXVVNXTFOY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.18
Rot. Bonds1

About 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one

3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one (PubChem CID 84626184) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
PubChem CID84626184
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
SMILESCc1ccc(C)c2c1cc(C(C)N)c(=O)n2C
InChIInChI=1S/C14H18N2O/c1-8-5-6-9(2)13-11(8)7-12(10(3)15)14(17)16(13)4/h5-7,10H,15H2,1-4H3
InChIKeyWYLBRXVVNXTFOY-UHFFFAOYSA-N
XLogP2.18
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one (CID 84626184) is 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one is Cc1ccc(C)c2c1cc(C(C)N)c(=O)n2C.
What is the InChIKey of 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one?
The InChIKey is WYLBRXVVNXTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-5-6-9(2)13-11(8)7-12(10(3)15)14(17)16(13)4/h5-7,10H,15H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one?
3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one is sourced from PubChem (CID 84626184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).