3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one

C14H19N3O — CID 69326761

IUPAC3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one
SMILESCCN(CC)CCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C14H19N3O/c1-3-17(4-2)10-9-13-14(18)16-12-8-6-5-7-11(12)15-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyQRFKDEWDVIGFRH-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.57
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one

3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one (PubChem CID 69326761) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one
PubChem CID69326761
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one
SMILESCCN(CC)CCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C14H19N3O/c1-3-17(4-2)10-9-13-14(18)16-12-8-6-5-7-11(12)15-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyQRFKDEWDVIGFRH-UHFFFAOYSA-N
XLogP0.57
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one (CID 69326761) is 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one is CCN(CC)CCC1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one?
The InChIKey is QRFKDEWDVIGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17(4-2)10-9-13-14(18)16-12-8-6-5-7-11(12)15-13/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one?
3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 69326761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).