6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide

C10H7Cl2N5O4 — CID 23354380

IUPAC6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide
SMILESNC(=O)C1=C(C(N)=O)Nc2c(cc(Cl)c(Cl)c2[N+](=O)[O-])N1
InChIInChI=1S/C10H7Cl2N5O4/c11-2-1-3-5(8(4(2)12)17(20)21)16-7(10(14)19)6(15-3)9(13)18/h1,15-16H,(H2,13,18)(H2,14,19)
InChIKeyCEPGFMCADHLSRY-UHFFFAOYSA-N
MW332.10 g/mol
LogP0.92
Rot. Bonds3

About 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide

6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide (PubChem CID 23354380) has the molecular formula C10H7Cl2N5O4 and a molecular weight of 332.10 g/mol. Its IUPAC name is 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide.

Molecular Properties

Compound Name6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide
PubChem CID23354380
Molecular FormulaC10H7Cl2N5O4
Molecular Weight332.10 g/mol
Exact Mass330.99
IUPAC Name6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide
SMILESNC(=O)C1=C(C(N)=O)Nc2c(cc(Cl)c(Cl)c2[N+](=O)[O-])N1
InChIInChI=1S/C10H7Cl2N5O4/c11-2-1-3-5(8(4(2)12)17(20)21)16-7(10(14)19)6(15-3)9(13)18/h1,15-16H,(H2,13,18)(H2,14,19)
InChIKeyCEPGFMCADHLSRY-UHFFFAOYSA-N
XLogP0.92
TPSA153.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide?
The IUPAC name of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide (CID 23354380) is 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide.
What is the SMILES notation for 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide?
The canonical SMILES for 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide is NC(=O)C1=C(C(N)=O)Nc2c(cc(Cl)c(Cl)c2[N+](=O)[O-])N1.
What is the InChIKey of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide?
The InChIKey is CEPGFMCADHLSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O4/c11-2-1-3-5(8(4(2)12)17(20)21)16-7(10(14)19)6(15-3)9(13)18/h1,15-16H,(H2,13,18)(H2,14,19).
What are the key properties of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide?
6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide has a molecular weight of 332.10 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dicarboxamide is sourced from PubChem (CID 23354380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).