1-quinoxalin-2-ylhexan-1-one

C14H16N2O — CID 102319889

IUPAC1-quinoxalin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-2-3-4-9-14(17)13-10-15-11-7-5-6-8-12(11)16-13/h5-8,10H,2-4,9H2,1H3
InChIKeyABMXTYJYYBVBTB-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.39
Rot. Bonds5

About 1-quinoxalin-2-ylhexan-1-one

1-quinoxalin-2-ylhexan-1-one (PubChem CID 102319889) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-quinoxalin-2-ylhexan-1-one.

Molecular Properties

Compound Name1-quinoxalin-2-ylhexan-1-one
PubChem CID102319889
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-quinoxalin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-2-3-4-9-14(17)13-10-15-11-7-5-6-8-12(11)16-13/h5-8,10H,2-4,9H2,1H3
InChIKeyABMXTYJYYBVBTB-UHFFFAOYSA-N
XLogP3.39
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-quinoxalin-2-ylbutan-1-one
CID 14895791
4-methoxy-1-quinoxalin-2-ylbutan-1-one
CID 107356829
1-quinolin-3-yloctan-1-one
CID 114963108
1-pyridin-2-ylhexan-1-one
CID 556347
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259
ethyl quinoxaline-2-carboxylate
CID 582701
1-(6-pentanoyl-2-pyridinyl)pentan-1-one
CID 169018185
(4-propylphenyl)-quinoxalin-2-ylmethanone
CID 107356711
N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 46589806
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
CID 107356752
1-quinolin-2-ylbutan-1-one
CID 14895778

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylhexan-1-one?
The IUPAC name of 1-quinoxalin-2-ylhexan-1-one (CID 102319889) is 1-quinoxalin-2-ylhexan-1-one.
What is the SMILES notation for 1-quinoxalin-2-ylhexan-1-one?
The canonical SMILES for 1-quinoxalin-2-ylhexan-1-one is CCCCCC(=O)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylhexan-1-one?
The InChIKey is ABMXTYJYYBVBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-4-9-14(17)13-10-15-11-7-5-6-8-12(11)16-13/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 1-quinoxalin-2-ylhexan-1-one?
1-quinoxalin-2-ylhexan-1-one has a molecular weight of 228.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylhexan-1-one is sourced from PubChem (CID 102319889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).