6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione

C14H9Cl2N3O2 — CID 10687263

IUPAC6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cc3ccccn3)c2[nH]c1=O
InChIInChI=1S/C14H9Cl2N3O2/c15-9-6-10-12(19-14(21)13(20)18-10)8(11(9)16)5-7-3-1-2-4-17-7/h1-4,6H,5H2,(H,18,20)(H,19,21)
InChIKeyGPQNMDWGOKBGTI-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.51
Rot. Bonds2

About 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10687263) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10687263
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cc3ccccn3)c2[nH]c1=O
InChIInChI=1S/C14H9Cl2N3O2/c15-9-6-10-12(19-14(21)13(20)18-10)8(11(9)16)5-7-3-1-2-4-17-7/h1-4,6H,5H2,(H,18,20)(H,19,21)
InChIKeyGPQNMDWGOKBGTI-UHFFFAOYSA-N
XLogP2.51
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 10687263) is 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)c(Cc3ccccn3)c2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is GPQNMDWGOKBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-6-10-12(19-14(21)13(20)18-10)8(11(9)16)5-7-3-1-2-4-17-7/h1-4,6H,5H2,(H,18,20)(H,19,21).
What are the key properties of 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 322.15 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10687263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).