1-[4-(ethylamino)butyl]quinoxalin-2-one

C14H19N3O — CID 62562828

IUPAC1-[4-(ethylamino)butyl]quinoxalin-2-one
SMILESCCNCCCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-15-9-5-6-10-17-13-8-4-3-7-12(13)16-11-14(17)18/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3
InChIKeyHUGSIVKVSLHFIB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds6

About 1-[4-(ethylamino)butyl]quinoxalin-2-one

1-[4-(ethylamino)butyl]quinoxalin-2-one (PubChem CID 62562828) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[4-(ethylamino)butyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)butyl]quinoxalin-2-one
PubChem CID62562828
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[4-(ethylamino)butyl]quinoxalin-2-one
SMILESCCNCCCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-15-9-5-6-10-17-13-8-4-3-7-12(13)16-11-14(17)18/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3
InChIKeyHUGSIVKVSLHFIB-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
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-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
1-[2-(2-methylanilino)ethyl]quinoxalin-2-one
CID 62562651
1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
CID 62564379
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435
1-(4,5-dihydroxypentyl)quinoxalin-2-one
CID 24776952
1-[2-(cyclopentylamino)ethyl]quinoxalin-2-one
CID 62562653
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
CID 62562469

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)butyl]quinoxalin-2-one?
The IUPAC name of 1-[4-(ethylamino)butyl]quinoxalin-2-one (CID 62562828) is 1-[4-(ethylamino)butyl]quinoxalin-2-one.
What is the SMILES notation for 1-[4-(ethylamino)butyl]quinoxalin-2-one?
The canonical SMILES for 1-[4-(ethylamino)butyl]quinoxalin-2-one is CCNCCCCn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[4-(ethylamino)butyl]quinoxalin-2-one?
The InChIKey is HUGSIVKVSLHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-15-9-5-6-10-17-13-8-4-3-7-12(13)16-11-14(17)18/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3.
What are the key properties of 1-[4-(ethylamino)butyl]quinoxalin-2-one?
1-[4-(ethylamino)butyl]quinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)butyl]quinoxalin-2-one is sourced from PubChem (CID 62562828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).