3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane

C12H15ClN2O2 — CID 143080552

IUPAC3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
SMILESCC.O=c1c(Cl)nc2ccccc2n1CCO
InChIInChI=1S/C10H9ClN2O2.C2H6/c11-9-10(15)13(5-6-14)8-4-2-1-3-7(8)12-9;1-2/h1-4,14H,5-6H2;1-2H3
InChIKeyZVHALXQAWLJEPC-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.07
Rot. Bonds2

About 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane

3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane (PubChem CID 143080552) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane.

Molecular Properties

Compound Name3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
PubChem CID143080552
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
SMILESCC.O=c1c(Cl)nc2ccccc2n1CCO
InChIInChI=1S/C10H9ClN2O2.C2H6/c11-9-10(15)13(5-6-14)8-4-2-1-3-7(8)12-9;1-2/h1-4,14H,5-6H2;1-2H3
InChIKeyZVHALXQAWLJEPC-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491293
ethyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
CID 79471720
methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
CID 79734378
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane?
The IUPAC name of 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane (CID 143080552) is 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane.
What is the SMILES notation for 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane?
The canonical SMILES for 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane is CC.O=c1c(Cl)nc2ccccc2n1CCO.
What is the InChIKey of 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane?
The InChIKey is ZVHALXQAWLJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2.C2H6/c11-9-10(15)13(5-6-14)8-4-2-1-3-7(8)12-9;1-2/h1-4,14H,5-6H2;1-2H3.
What are the key properties of 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane?
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane has a molecular weight of 254.72 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane is sourced from PubChem (CID 143080552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).