3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one

C16H10ClN3O — CID 137302524

IUPAC3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3O/c17-9-5-6-12-10(7-9)11(8-18-12)15-16(21)20-14-4-2-1-3-13(14)19-15/h1-8,18H,(H,20,21)
InChIKeySSSGJGDSDYDSFQ-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.72
Rot. Bonds1

About 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one

3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one (PubChem CID 137302524) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
PubChem CID137302524
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3O/c17-9-5-6-12-10(7-9)11(8-18-12)15-16(21)20-14-4-2-1-3-13(14)19-15/h1-8,18H,(H,20,21)
InChIKeySSSGJGDSDYDSFQ-UHFFFAOYSA-N
XLogP3.72
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 7187743
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-fluorobenzamide
CID 71901581
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzamide
CID 100654599
6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one
CID 137253999
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
CID 53299187
7-chloro-4-(1H-indol-3-yl)-1H-quinolin-2-one
CID 138961466
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one (CID 137302524) is 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one?
The InChIKey is SSSGJGDSDYDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-9-5-6-12-10(7-9)11(8-18-12)15-16(21)20-14-4-2-1-3-13(14)19-15/h1-8,18H,(H,20,21).
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one?
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one has a molecular weight of 295.73 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 137302524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).