3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one

C17H24N2O — CID 1178671

IUPAC3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one
SMILESCCN(CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O
InChIInChI=1S/C17H24N2O/c1-6-19(7-2)10-14-13(5)18-15-9-11(3)8-12(4)16(15)17(14)20/h8-9H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyMOLBMYOSEHTBNN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.30
Rot. Bonds4

About 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one

3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one (PubChem CID 1178671) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one
PubChem CID1178671
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one
SMILESCCN(CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O
InChIInChI=1S/C17H24N2O/c1-6-19(7-2)10-14-13(5)18-15-9-11(3)8-12(4)16(15)17(14)20/h8-9H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyMOLBMYOSEHTBNN-UHFFFAOYSA-N
XLogP3.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one (CID 1178671) is 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one is CCN(CC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O.
What is the InChIKey of 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one?
The InChIKey is MOLBMYOSEHTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-19(7-2)10-14-13(5)18-15-9-11(3)8-12(4)16(15)17(14)20/h8-9H,6-7,10H2,1-5H3,(H,18,20).
What are the key properties of 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one?
3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 1178671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).