6-(diethylamino)-1H-quinolin-4-one

C13H16N2O — CID 63180418

IUPAC6-(diethylamino)-1H-quinolin-4-one
SMILESCCN(CC)c1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C13H16N2O/c1-3-15(4-2)10-5-6-12-11(9-10)13(16)7-8-14-12/h5-9H,3-4H2,1-2H3,(H,14,16)
InChIKeyNJCYLOXUEZHUCT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.37
Rot. Bonds3

About 6-(diethylamino)-1H-quinolin-4-one

6-(diethylamino)-1H-quinolin-4-one (PubChem CID 63180418) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(diethylamino)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(diethylamino)-1H-quinolin-4-one
PubChem CID63180418
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-(diethylamino)-1H-quinolin-4-one
SMILESCCN(CC)c1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C13H16N2O/c1-3-15(4-2)10-5-6-12-11(9-10)13(16)7-8-14-12/h5-9H,3-4H2,1-2H3,(H,14,16)
InChIKeyNJCYLOXUEZHUCT-UHFFFAOYSA-N
XLogP2.37
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-1H-quinolin-4-one?
The IUPAC name of 6-(diethylamino)-1H-quinolin-4-one (CID 63180418) is 6-(diethylamino)-1H-quinolin-4-one.
What is the SMILES notation for 6-(diethylamino)-1H-quinolin-4-one?
The canonical SMILES for 6-(diethylamino)-1H-quinolin-4-one is CCN(CC)c1ccc2[nH]ccc(=O)c2c1.
What is the InChIKey of 6-(diethylamino)-1H-quinolin-4-one?
The InChIKey is NJCYLOXUEZHUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-15(4-2)10-5-6-12-11(9-10)13(16)7-8-14-12/h5-9H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 6-(diethylamino)-1H-quinolin-4-one?
6-(diethylamino)-1H-quinolin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1H-quinolin-4-one is sourced from PubChem (CID 63180418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).