8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine

C12H12ClN3 — CID 90034631

IUPAC8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine
SMILESC=C(C)CNc1cnc2cccc(Cl)c2n1
InChIInChI=1S/C12H12ClN3/c1-8(2)6-15-11-7-14-10-5-3-4-9(13)12(10)16-11/h3-5,7H,1,6H2,2H3,(H,15,16)
InChIKeyWBPJBJXCEMJGON-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.27
Rot. Bonds3

About 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine

8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine (PubChem CID 90034631) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine
PubChem CID90034631
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine
SMILESC=C(C)CNc1cnc2cccc(Cl)c2n1
InChIInChI=1S/C12H12ClN3/c1-8(2)6-15-11-7-14-10-5-3-4-9(13)12(10)16-11/h3-5,7H,1,6H2,2H3,(H,15,16)
InChIKeyWBPJBJXCEMJGON-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine?
The IUPAC name of 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine (CID 90034631) is 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine.
What is the SMILES notation for 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine?
The canonical SMILES for 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine is C=C(C)CNc1cnc2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine?
The InChIKey is WBPJBJXCEMJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8(2)6-15-11-7-14-10-5-3-4-9(13)12(10)16-11/h3-5,7H,1,6H2,2H3,(H,15,16).
What are the key properties of 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine?
8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methylprop-2-enyl)quinoxalin-2-amine is sourced from PubChem (CID 90034631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).