1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine

C16H11N5O2 — CID 67545844

IUPAC1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine
SMILESNc1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)cnc12
InChIInChI=1S/C16H11N5O2/c17-15-16-18-9-14(10-5-7-11(8-6-10)21(22)23)20(16)13-4-2-1-3-12(13)19-15/h1-9H,(H2,17,19)
InChIKeyHPNIVNTXKVTQRA-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.04
Rot. Bonds2

About 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine

1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine (PubChem CID 67545844) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine
PubChem CID67545844
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine
SMILESNc1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)cnc12
InChIInChI=1S/C16H11N5O2/c17-15-16-18-9-14(10-5-7-11(8-6-10)21(22)23)20(16)13-4-2-1-3-12(13)19-15/h1-9H,(H2,17,19)
InChIKeyHPNIVNTXKVTQRA-UHFFFAOYSA-N
XLogP3.04
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
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 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine (CID 67545844) is 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine is Nc1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)cnc12.
What is the InChIKey of 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is HPNIVNTXKVTQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c17-15-16-18-9-14(10-5-7-11(8-6-10)21(22)23)20(16)13-4-2-1-3-12(13)19-15/h1-9H,(H2,17,19).
What are the key properties of 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine?
1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 305.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)imidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 67545844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).