6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione

C16H22N2O3 — CID 61089199

IUPAC6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCCCCCC(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H22N2O3/c1-2-3-4-5-6-7-14(19)11-8-9-12-13(10-11)18-16(21)15(20)17-12/h8-10,14,19H,2-7H2,1H3,(H,17,20)(H,18,21)
InChIKeyAUGQOZYJDCLRBH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.61
Rot. Bonds7

About 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione

6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 61089199) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID61089199
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCCCCCC(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H22N2O3/c1-2-3-4-5-6-7-14(19)11-8-9-12-13(10-11)18-16(21)15(20)17-12/h8-10,14,19H,2-7H2,1H3,(H,17,20)(H,18,21)
InChIKeyAUGQOZYJDCLRBH-UHFFFAOYSA-N
XLogP2.61
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483366
4-(1-hydroxytridecyl)phenol
CID 57120972
6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103557518

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione (CID 61089199) is 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione is CCCCCCCC(O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is AUGQOZYJDCLRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-4-5-6-7-14(19)11-8-9-12-13(10-11)18-16(21)15(20)17-12/h8-10,14,19H,2-7H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 290.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 61089199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).