4-(2-iminoquinoxalin-1-yl)aniline

C14H12N4 — CID 102525304

IUPAC4-(2-iminoquinoxalin-1-yl)aniline
SMILES[H]/N=c1\cnc2ccccc2n1-c1ccc(N)cc1
InChIInChI=1S/C14H12N4/c15-10-5-7-11(8-6-10)18-13-4-2-1-3-12(13)17-9-14(18)16/h1-9,16H,15H2/b16-14+
InChIKeyXTZXXAXLALLTMZ-JQIJEIRASA-N
MW236.28 g/mol
LogP2.09
Rot. Bonds1

About 4-(2-iminoquinoxalin-1-yl)aniline

4-(2-iminoquinoxalin-1-yl)aniline (PubChem CID 102525304) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(2-iminoquinoxalin-1-yl)aniline.

Molecular Properties

Compound Name4-(2-iminoquinoxalin-1-yl)aniline
PubChem CID102525304
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-(2-iminoquinoxalin-1-yl)aniline
SMILES[H]/N=c1\cnc2ccccc2n1-c1ccc(N)cc1
InChIInChI=1S/C14H12N4/c15-10-5-7-11(8-6-10)18-13-4-2-1-3-12(13)17-9-14(18)16/h1-9,16H,15H2/b16-14+
InChIKeyXTZXXAXLALLTMZ-JQIJEIRASA-N
XLogP2.09
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iminoquinoxalin-1-yl)aniline?
The IUPAC name of 4-(2-iminoquinoxalin-1-yl)aniline (CID 102525304) is 4-(2-iminoquinoxalin-1-yl)aniline.
What is the SMILES notation for 4-(2-iminoquinoxalin-1-yl)aniline?
The canonical SMILES for 4-(2-iminoquinoxalin-1-yl)aniline is [H]/N=c1\cnc2ccccc2n1-c1ccc(N)cc1.
What is the InChIKey of 4-(2-iminoquinoxalin-1-yl)aniline?
The InChIKey is XTZXXAXLALLTMZ-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12N4/c15-10-5-7-11(8-6-10)18-13-4-2-1-3-12(13)17-9-14(18)16/h1-9,16H,15H2/b16-14+.
What are the key properties of 4-(2-iminoquinoxalin-1-yl)aniline?
4-(2-iminoquinoxalin-1-yl)aniline has a molecular weight of 236.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iminoquinoxalin-1-yl)aniline is sourced from PubChem (CID 102525304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).