6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione

C11H10ClFN2O3 — CID 163261603

IUPAC6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(Cl)cc2n(CCCO)c1=O
InChIInChI=1S/C11H10ClFN2O3/c12-6-4-9-8(5-7(6)13)14-10(17)11(18)15(9)2-1-3-16/h4-5,16H,1-3H2,(H,14,17)
InChIKeyQQMKIKCVUMBRDM-UHFFFAOYSA-N
MW272.66 g/mol
LogP0.86
Rot. Bonds3

About 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione

6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione (PubChem CID 163261603) has the molecular formula C11H10ClFN2O3 and a molecular weight of 272.66 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione
PubChem CID163261603
Molecular FormulaC11H10ClFN2O3
Molecular Weight272.66 g/mol
Exact Mass272.04
IUPAC Name6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(Cl)cc2n(CCCO)c1=O
InChIInChI=1S/C11H10ClFN2O3/c12-6-4-9-8(5-7(6)13)14-10(17)11(18)15(9)2-1-3-16/h4-5,16H,1-3H2,(H,14,17)
InChIKeyQQMKIKCVUMBRDM-UHFFFAOYSA-N
XLogP0.86
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-1,4-dihydro-2,3-quinoxalinedione
CID 81143
7-Chloro-3,4-dihydro-1H-quinoxalin-2-one
CID 285323
6-Chloro-5,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
CID 10823505
1-Carboxymethyl-6,7-dichloroquinoxaline-2,3(1h,4h)-dione
CID 19958555
6-Chloro-7-fluoro-1,4-dihydroquinoxaline-2,3-dione
CID 10656295
6-Chloro-3,4-dihydroquinoxalin-2(1h)-one
CID 283527
N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 84524812
4-[2-(3-Chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one
CID 37474303
6,7-Dichloro-1-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 44377743
7-Chlorospiro[1,3-dihydroquinoxalin-4-ium-4,1'-azinan-1-ium]-2-one
CID 423913
N-(3-chlorophenyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 2574371
(3S)-4-butanoyl-6-chloro-3-methyl-1,3-dihydroquinoxalin-2-one
CID 455933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione (CID 163261603) is 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(Cl)cc2n(CCCO)c1=O.
What is the InChIKey of 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
The InChIKey is QQMKIKCVUMBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3/c12-6-4-9-8(5-7(6)13)14-10(17)11(18)15(9)2-1-3-16/h4-5,16H,1-3H2,(H,14,17).
What are the key properties of 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione?
6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione has a molecular weight of 272.66 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-(3-hydroxypropyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 163261603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).