1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one

C23H27N5O4 — CID 72948677

IUPAC1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCCCCCCCn1c(-c2ccc([N+](=O)[O-])o2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21
InChIInChI=1S/C23H27N5O4/c1-4-5-6-7-8-11-27-18-13-16-15(26-23(29)21(24-16)14(2)3)12-17(18)25-22(27)19-9-10-20(32-19)28(30)31/h9-10,12-14H,4-8,11H2,1-3H3,(H,26,29)
InChIKeyUBGIELANXYEHLH-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.53
Rot. Bonds9

About 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one

1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 72948677) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
PubChem CID72948677
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCCCCCCCn1c(-c2ccc([N+](=O)[O-])o2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21
InChIInChI=1S/C23H27N5O4/c1-4-5-6-7-8-11-27-18-13-16-15(26-23(29)21(24-16)14(2)3)12-17(18)25-22(27)19-9-10-20(32-19)28(30)31/h9-10,12-14H,4-8,11H2,1-3H3,(H,26,29)
InChIKeyUBGIELANXYEHLH-UHFFFAOYSA-N
XLogP5.53
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one 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 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one (CID 72948677) is 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one is CCCCCCCn1c(-c2ccc([N+](=O)[O-])o2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21.
What is the InChIKey of 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
The InChIKey is UBGIELANXYEHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-4-5-6-7-8-11-27-18-13-16-15(26-23(29)21(24-16)14(2)3)12-17(18)25-22(27)19-9-10-20(32-19)28(30)31/h9-10,12-14H,4-8,11H2,1-3H3,(H,26,29).
What are the key properties of 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one?
1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 437.50 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-(5-nitrofuran-2-yl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 72948677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).