4-quinoxalin-2-ylbutane-1,2,3-triol

C12H14N2O3 — CID 14298609

IUPAC4-quinoxalin-2-ylbutane-1,2,3-triol
SMILESOCC(O)C(O)Cc1cnc2ccccc2n1
InChIInChI=1S/C12H14N2O3/c15-7-12(17)11(16)5-8-6-13-9-3-1-2-4-10(9)14-8/h1-4,6,11-12,15-17H,5,7H2
InChIKeyKFKHJQAEESRVHL-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.11
Rot. Bonds4

About 4-quinoxalin-2-ylbutane-1,2,3-triol

4-quinoxalin-2-ylbutane-1,2,3-triol (PubChem CID 14298609) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-quinoxalin-2-ylbutane-1,2,3-triol.

Molecular Properties

Compound Name4-quinoxalin-2-ylbutane-1,2,3-triol
PubChem CID14298609
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-quinoxalin-2-ylbutane-1,2,3-triol
SMILESOCC(O)C(O)Cc1cnc2ccccc2n1
InChIInChI=1S/C12H14N2O3/c15-7-12(17)11(16)5-8-6-13-9-3-1-2-4-10(9)14-8/h1-4,6,11-12,15-17H,5,7H2
InChIKeyKFKHJQAEESRVHL-UHFFFAOYSA-N
XLogP-0.11
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Quinoxalin-2-ylmethanol
CID 905614
1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol
CID 260008
Ethyl 2-hydroxy-3-(2-quinoxalinyl)propanoate
CID 241510
Quinoxaline, 2-(1,2,3,4-tetrahydroxybutyl)-, hydrate
CID 3056911
(2R,3S)-4-quinoxalin-2-ylbutane-1,2,3-triol
CID 14298611
3-Quinoxalin-2-ylprop-2-yn-1-ol
CID 10607536
2-[[5-(Dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]quinoxaline
CID 44430100
3-(Quinoxalin-2-yl)propanoic acid
CID 292504
ethyl (2S)-2-hydroxy-3-quinoxalin-2-ylpropanoate
CID 3246196
2-(1,5-Naphthyridin-4-yl)ethan-1-ol
CID 130038455
2-Quinoxalineethanol, 3-methyl-
CID 269732
4-Quinoxalin-2-ylbut-3-yn-2-ol
CID 12993219

Frequently Asked Questions

What is the IUPAC name of 4-quinoxalin-2-ylbutane-1,2,3-triol?
The IUPAC name of 4-quinoxalin-2-ylbutane-1,2,3-triol (CID 14298609) is 4-quinoxalin-2-ylbutane-1,2,3-triol.
What is the SMILES notation for 4-quinoxalin-2-ylbutane-1,2,3-triol?
The canonical SMILES for 4-quinoxalin-2-ylbutane-1,2,3-triol is OCC(O)C(O)Cc1cnc2ccccc2n1.
What is the InChIKey of 4-quinoxalin-2-ylbutane-1,2,3-triol?
The InChIKey is KFKHJQAEESRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-7-12(17)11(16)5-8-6-13-9-3-1-2-4-10(9)14-8/h1-4,6,11-12,15-17H,5,7H2.
What are the key properties of 4-quinoxalin-2-ylbutane-1,2,3-triol?
4-quinoxalin-2-ylbutane-1,2,3-triol has a molecular weight of 234.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinoxalin-2-ylbutane-1,2,3-triol is sourced from PubChem (CID 14298609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).