6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

C10H11ClN2O — CID 83509943

IUPAC6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C10H11ClN2O/c1-6-10(14)13(2)9-4-3-7(11)5-8(9)12-6/h3-6,12H,1-2H3
InChIKeyROVHYFUOQAWGRR-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.12
Rot. Bonds

About 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 83509943) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID83509943
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C10H11ClN2O/c1-6-10(14)13(2)9-4-3-7(11)5-8(9)12-6/h3-6,12H,1-2H3
InChIKeyROVHYFUOQAWGRR-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (CID 83509943) is 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is CC1Nc2cc(Cl)ccc2N(C)C1=O.
What is the InChIKey of 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is ROVHYFUOQAWGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-10(14)13(2)9-4-3-7(11)5-8(9)12-6/h3-6,12H,1-2H3.
What are the key properties of 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 83509943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).