6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one

C9H9ClN2O — CID 84619437

IUPAC6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1cc(Cl)cc2c1NC(=O)CN2
InChIInChI=1S/C9H9ClN2O/c1-5-2-6(10)3-7-9(5)12-8(13)4-11-7/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyZVKKXGLRFDPNJG-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.01
Rot. Bonds

About 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one

6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 84619437) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID84619437
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1cc(Cl)cc2c1NC(=O)CN2
InChIInChI=1S/C9H9ClN2O/c1-5-2-6(10)3-7-9(5)12-8(13)4-11-7/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyZVKKXGLRFDPNJG-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 84619437) is 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one is Cc1cc(Cl)cc2c1NC(=O)CN2.
What is the InChIKey of 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ZVKKXGLRFDPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-5-2-6(10)3-7-9(5)12-8(13)4-11-7/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one?
6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 196.64 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 84619437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).