7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one

C9H9ClN2O — CID 84619430

IUPAC7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3
InChIKeyDLHZAFLLKAKFRU-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.73
Rot. Bonds

About 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one

7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84619430) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID84619430
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3
InChIKeyDLHZAFLLKAKFRU-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one (CID 84619430) is 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)CNc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is DLHZAFLLKAKFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3.
What are the key properties of 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one?
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 196.64 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84619430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).