7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione

C17H14FN3O5 — CID 10594610

IUPAC7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(OCCCc3ccccc3)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)
InChIKeyVNQLCFICOVVCGM-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.28
Rot. Bonds6

About 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione

7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10594610) has the molecular formula C17H14FN3O5 and a molecular weight of 359.31 g/mol. Its IUPAC name is 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10594610
Molecular FormulaC17H14FN3O5
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(OCCCc3ccccc3)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)
InChIKeyVNQLCFICOVVCGM-UHFFFAOYSA-N
XLogP2.28
TPSA118.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione (CID 10594610) is 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(OCCCc3ccccc3)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is VNQLCFICOVVCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23).
What are the key properties of 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione?
7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 359.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-nitro-6-(3-phenylpropoxy)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10594610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).