N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide

C16H14N4O6 — CID 15552018

IUPACN-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide
SMILESCc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)C(=O)c1ccco1
InChIInChI=1S/C16H14N4O6/c1-8-9(7-19(2)16(23)12-4-3-5-26-12)13-10(6-11(8)20(24)25)17-14(21)15(22)18-13/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyGBRJJWUBHPCJST-UHFFFAOYSA-N
MW358.31 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide

N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide (PubChem CID 15552018) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide
PubChem CID15552018
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC NameN-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide
SMILESCc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)C(=O)c1ccco1
InChIInChI=1S/C16H14N4O6/c1-8-9(7-19(2)16(23)12-4-3-5-26-12)13-10(6-11(8)20(24)25)17-14(21)15(22)18-13/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyGBRJJWUBHPCJST-UHFFFAOYSA-N
XLogP1.30
TPSA142.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide 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 N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide (CID 15552018) is N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide is Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide?
The InChIKey is GBRJJWUBHPCJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c1-8-9(7-19(2)16(23)12-4-3-5-26-12)13-10(6-11(8)20(24)25)17-14(21)15(22)18-13/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide?
N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide has a molecular weight of 358.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 15552018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).