6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione

C9H7ClN2O2 — CID 10512659

IUPAC6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)
InChIKeyOPVQMZQNZMVWHA-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.18
Rot. Bonds

About 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione

6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10512659) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10512659
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)
InChIKeyOPVQMZQNZMVWHA-UHFFFAOYSA-N
XLogP1.18
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione (CID 10512659) is 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is OPVQMZQNZMVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14).
What are the key properties of 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 210.62 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10512659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).