1-[2-(ethylamino)ethyl]quinoxalin-2-one

C12H15N3O — CID 61387622

IUPAC1-[2-(ethylamino)ethyl]quinoxalin-2-one
SMILESCCNCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C12H15N3O/c1-2-13-7-8-15-11-6-4-3-5-10(11)14-9-12(15)16/h3-6,9,13H,2,7-8H2,1H3
InChIKeyXFWQTTZEGULEJV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.01
Rot. Bonds4

About 1-[2-(ethylamino)ethyl]quinoxalin-2-one

1-[2-(ethylamino)ethyl]quinoxalin-2-one (PubChem CID 61387622) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]quinoxalin-2-one
PubChem CID61387622
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-(ethylamino)ethyl]quinoxalin-2-one
SMILESCCNCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C12H15N3O/c1-2-13-7-8-15-11-6-4-3-5-10(11)14-9-12(15)16/h3-6,9,13H,2,7-8H2,1H3
InChIKeyXFWQTTZEGULEJV-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
1-[2-(2-methylanilino)ethyl]quinoxalin-2-one
CID 62562651
1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
CID 62564379
1-[2-(cyclopentylamino)ethyl]quinoxalin-2-one
CID 62562653
1-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]quinoxalin-2-one
CID 62563348
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
CID 62562469
1-[2-(3-methylanilino)ethyl]quinoxalin-2-one
CID 62564206
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(ethylamino)ethyl]quinoxalin-2-one (CID 61387622) is 1-[2-(ethylamino)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(ethylamino)ethyl]quinoxalin-2-one is CCNCCn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[2-(ethylamino)ethyl]quinoxalin-2-one?
The InChIKey is XFWQTTZEGULEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-13-7-8-15-11-6-4-3-5-10(11)14-9-12(15)16/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 1-[2-(ethylamino)ethyl]quinoxalin-2-one?
1-[2-(ethylamino)ethyl]quinoxalin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]quinoxalin-2-one is sourced from PubChem (CID 61387622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).