7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one

C13H10ClN3O — CID 67199437

IUPAC7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(-c3cccnc3)c(Cl)cc2N1
InChIInChI=1S/C13H10ClN3O/c14-10-5-12-11(16-7-13(18)17-12)4-9(10)8-2-1-3-15-6-8/h1-6,16H,7H2,(H,17,18)
InChIKeyKKGMZFOUBPWZIO-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.77
Rot. Bonds1

About 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one

7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 67199437) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID67199437
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(-c3cccnc3)c(Cl)cc2N1
InChIInChI=1S/C13H10ClN3O/c14-10-5-12-11(16-7-13(18)17-12)4-9(10)8-2-1-3-15-6-8/h1-6,16H,7H2,(H,17,18)
InChIKeyKKGMZFOUBPWZIO-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 44480387
4-Methyl-6-pyridin-3-yl-1,3-dihydroquinoxalin-2-one
CID 44480388
6-(Pyridin-3-yl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 67199421
6,7-Dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10687263
N'-(4-Chlorophenyl)-N-[2-(pyridin-3-YL)-2-(1,2,3,4-tetrahydroisoquinolin-2-YL)ethyl]ethanediamide
CID 16017459
N'-(3-Chlorophenyl)-N-[2-(pyridin-3-YL)-2-(1,2,3,4-tetrahydroisoquinolin-2-YL)ethyl]ethanediamide
CID 16017463
N'-[2-(4-Benzylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]-N-(3-chloro-4-methylphenyl)ethanediamide
CID 16017607
6,7-dichloro-5-(1-(pyridin-2-yl)propyl)quinoxaline-2,3(1H,4H)-dione
CID 44447612
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-(quinoxalin-2-yl)phenyl)acetamide
CID 46917072
US9969726, Example 188
CID 118586592
8-Acetamido-6-chloroquinoline
CID 459665
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3-pyridinylmethyl)ethanediamide
CID 2260767

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 67199437) is 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2cc(-c3cccnc3)c(Cl)cc2N1.
What is the InChIKey of 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is KKGMZFOUBPWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-5-12-11(16-7-13(18)17-12)4-9(10)8-2-1-3-15-6-8/h1-6,16H,7H2,(H,17,18).
What are the key properties of 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 259.70 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 67199437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).