[5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol

C12H14BrN3O — CID 123600812

IUPAC[5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol
SMILESCC(C)Nc1nc2c(Br)cccc2nc1CO
InChIInChI=1S/C12H14BrN3O/c1-7(2)14-12-10(6-17)15-9-5-3-4-8(13)11(9)16-12/h3-5,7,17H,6H2,1-2H3,(H,14,16)
InChIKeyIGDMJWYQFXHMKR-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.70
Rot. Bonds3

About [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol

[5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol (PubChem CID 123600812) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol
PubChem CID123600812
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol
SMILESCC(C)Nc1nc2c(Br)cccc2nc1CO
InChIInChI=1S/C12H14BrN3O/c1-7(2)14-12-10(6-17)15-9-5-3-4-8(13)11(9)16-12/h3-5,7,17H,6H2,1-2H3,(H,14,16)
InChIKeyIGDMJWYQFXHMKR-UHFFFAOYSA-N
XLogP2.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol?
The IUPAC name of [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol (CID 123600812) is [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol.
What is the SMILES notation for [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol?
The canonical SMILES for [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol is CC(C)Nc1nc2c(Br)cccc2nc1CO.
What is the InChIKey of [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol?
The InChIKey is IGDMJWYQFXHMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7(2)14-12-10(6-17)15-9-5-3-4-8(13)11(9)16-12/h3-5,7,17H,6H2,1-2H3,(H,14,16).
What are the key properties of [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol?
[5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol has a molecular weight of 296.17 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(propan-2-ylamino)quinoxalin-2-yl]methanol is sourced from PubChem (CID 123600812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).