2-(quinoxalin-2-ylamino)butan-1-ol

C12H15N3O — CID 47142817

IUPAC2-(quinoxalin-2-ylamino)butan-1-ol
SMILESCCC(CO)Nc1cnc2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-2-9(8-16)14-12-7-13-10-5-3-4-6-11(10)15-12/h3-7,9,16H,2,8H2,1H3,(H,14,15)
InChIKeyKCKLRYTULMKWTJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.81
Rot. Bonds4

About 2-(quinoxalin-2-ylamino)butan-1-ol

2-(quinoxalin-2-ylamino)butan-1-ol (PubChem CID 47142817) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(quinoxalin-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-(quinoxalin-2-ylamino)butan-1-ol
PubChem CID47142817
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(quinoxalin-2-ylamino)butan-1-ol
SMILESCCC(CO)Nc1cnc2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-2-9(8-16)14-12-7-13-10-5-3-4-6-11(10)15-12/h3-7,9,16H,2,8H2,1H3,(H,14,15)
InChIKeyKCKLRYTULMKWTJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-quinoxalin-2-ylpentane-1,3-diamine
CID 113496622
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
2-(pyrazin-2-ylamino)butan-1-ol
CID 43388780
2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol
CID 90272720
2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
CID 115765248
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-2-ylamino)butan-1-ol?
The IUPAC name of 2-(quinoxalin-2-ylamino)butan-1-ol (CID 47142817) is 2-(quinoxalin-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-(quinoxalin-2-ylamino)butan-1-ol?
The canonical SMILES for 2-(quinoxalin-2-ylamino)butan-1-ol is CCC(CO)Nc1cnc2ccccc2n1.
What is the InChIKey of 2-(quinoxalin-2-ylamino)butan-1-ol?
The InChIKey is KCKLRYTULMKWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-9(8-16)14-12-7-13-10-5-3-4-6-11(10)15-12/h3-7,9,16H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-(quinoxalin-2-ylamino)butan-1-ol?
2-(quinoxalin-2-ylamino)butan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-2-ylamino)butan-1-ol is sourced from PubChem (CID 47142817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).