4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one

C13H18N2O2 — CID 79192627

IUPAC4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
SMILESCN1CCN(C(=O)CCCO)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-14-8-9-15(13(17)7-4-10-16)12-6-3-2-5-11(12)14/h2-3,5-6,16H,4,7-10H2,1H3
InChIKeyNPVMTTLHKHWHCZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds3

About 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one

4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one (PubChem CID 79192627) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
PubChem CID79192627
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
SMILESCN1CCN(C(=O)CCCO)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-14-8-9-15(13(17)7-4-10-16)12-6-3-2-5-11(12)14/h2-3,5-6,16H,4,7-10H2,1H3
InChIKeyNPVMTTLHKHWHCZ-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
CID 63778022
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107030058
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-piperazin-1-ylethanone
CID 63777523
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
2-(3-fluorophenoxy)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 110715131
4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 116656087

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one (CID 79192627) is 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one is CN1CCN(C(=O)CCCO)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
The InChIKey is NPVMTTLHKHWHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-8-9-15(13(17)7-4-10-16)12-6-3-2-5-11(12)14/h2-3,5-6,16H,4,7-10H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one is sourced from PubChem (CID 79192627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).