6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide

C15H10F2N4O3 — CID 23354133

IUPAC6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide
SMILESNC(=O)C1=C(c2ccccc2)Nc2c(cc(F)c(F)c2[N+](=O)[O-])N1
InChIInChI=1S/C15H10F2N4O3/c16-8-6-9-12(14(10(8)17)21(23)24)20-11(13(19-9)15(18)22)7-4-2-1-3-5-7/h1-6,19-20H,(H2,18,22)
InChIKeyWGBCJLCNVWGFMH-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.56
Rot. Bonds3

About 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide

6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide (PubChem CID 23354133) has the molecular formula C15H10F2N4O3 and a molecular weight of 332.27 g/mol. Its IUPAC name is 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide
PubChem CID23354133
Molecular FormulaC15H10F2N4O3
Molecular Weight332.27 g/mol
Exact Mass332.07
IUPAC Name6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide
SMILESNC(=O)C1=C(c2ccccc2)Nc2c(cc(F)c(F)c2[N+](=O)[O-])N1
InChIInChI=1S/C15H10F2N4O3/c16-8-6-9-12(14(10(8)17)21(23)24)20-11(13(19-9)15(18)22)7-4-2-1-3-5-7/h1-6,19-20H,(H2,18,22)
InChIKeyWGBCJLCNVWGFMH-UHFFFAOYSA-N
XLogP2.56
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide?
The IUPAC name of 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide (CID 23354133) is 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide?
The canonical SMILES for 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide is NC(=O)C1=C(c2ccccc2)Nc2c(cc(F)c(F)c2[N+](=O)[O-])N1.
What is the InChIKey of 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide?
The InChIKey is WGBCJLCNVWGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O3/c16-8-6-9-12(14(10(8)17)21(23)24)20-11(13(19-9)15(18)22)7-4-2-1-3-5-7/h1-6,19-20H,(H2,18,22).
What are the key properties of 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide?
6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide has a molecular weight of 332.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-5-nitro-3-phenyl-1,4-dihydroquinoxaline-2-carboxamide is sourced from PubChem (CID 23354133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).