1-(4,5-dihydroxypentyl)quinoxalin-2-one

C13H16N2O3 — CID 24776952

IUPAC1-(4,5-dihydroxypentyl)quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCC(O)CO
InChIInChI=1S/C13H16N2O3/c16-9-10(17)4-3-7-15-12-6-2-1-5-11(12)14-8-13(15)18/h1-2,5-6,8,10,16-17H,3-4,7,9H2
InChIKeyKCABAIQYIZTXOB-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.53
Rot. Bonds5

About 1-(4,5-dihydroxypentyl)quinoxalin-2-one

1-(4,5-dihydroxypentyl)quinoxalin-2-one (PubChem CID 24776952) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(4,5-dihydroxypentyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(4,5-dihydroxypentyl)quinoxalin-2-one
PubChem CID24776952
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(4,5-dihydroxypentyl)quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCC(O)CO
InChIInChI=1S/C13H16N2O3/c16-9-10(17)4-3-7-15-12-6-2-1-5-11(12)14-8-13(15)18/h1-2,5-6,8,10,16-17H,3-4,7,9H2
InChIKeyKCABAIQYIZTXOB-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one
CID 42952052
2,2-dimethyl-4-(2-oxoquinoxalin-1-yl)butanethioamide
CID 65248642
1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
CID 2525579
1-[2-(cyclopentylamino)ethyl]quinoxalin-2-one
CID 62562653

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroxypentyl)quinoxalin-2-one?
The IUPAC name of 1-(4,5-dihydroxypentyl)quinoxalin-2-one (CID 24776952) is 1-(4,5-dihydroxypentyl)quinoxalin-2-one.
What is the SMILES notation for 1-(4,5-dihydroxypentyl)quinoxalin-2-one?
The canonical SMILES for 1-(4,5-dihydroxypentyl)quinoxalin-2-one is O=c1cnc2ccccc2n1CCCC(O)CO.
What is the InChIKey of 1-(4,5-dihydroxypentyl)quinoxalin-2-one?
The InChIKey is KCABAIQYIZTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-9-10(17)4-3-7-15-12-6-2-1-5-11(12)14-8-13(15)18/h1-2,5-6,8,10,16-17H,3-4,7,9H2.
What are the key properties of 1-(4,5-dihydroxypentyl)quinoxalin-2-one?
1-(4,5-dihydroxypentyl)quinoxalin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroxypentyl)quinoxalin-2-one is sourced from PubChem (CID 24776952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).