3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one

C15H16N4O — CID 134842555

IUPAC3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
SMILESCCCCn1ccnc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H16N4O/c1-2-3-9-19-10-8-16-14(19)13-15(20)18-12-7-5-4-6-11(12)17-13/h4-8,10H,2-3,9H2,1H3,(H,18,20)
InChIKeyQENJQCFATIWNRD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one

3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one (PubChem CID 134842555) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
PubChem CID134842555
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
SMILESCCCCn1ccnc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H16N4O/c1-2-3-9-19-10-8-16-14(19)13-15(20)18-12-7-5-4-6-11(12)17-13/h4-8,10H,2-3,9H2,1H3,(H,18,20)
InChIKeyQENJQCFATIWNRD-UHFFFAOYSA-N
XLogP2.59
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one
CID 131853309
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
CID 56879841
5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one
CID 102485325
2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
CID 95222460
2-[(3-butylimidazol-1-ium-1-yl)methyl]-1H-benzimidazole
CID 10332553
3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
CID 135818382
2-(3-oxo-4H-quinoxalin-2-yl)butanoate
CID 57348314

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one (CID 134842555) is 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one is CCCCn1ccnc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one?
The InChIKey is QENJQCFATIWNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-3-9-19-10-8-16-14(19)13-15(20)18-12-7-5-4-6-11(12)17-13/h4-8,10H,2-3,9H2,1H3,(H,18,20).
What are the key properties of 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one?
3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 134842555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).