N-[2-(chloromethyl)phenyl]quinoxalin-2-amine

C15H12ClN3 — CID 65027944

IUPACN-[2-(chloromethyl)phenyl]quinoxalin-2-amine
SMILESClCc1ccccc1Nc1cnc2ccccc2n1
InChIInChI=1S/C15H12ClN3/c16-9-11-5-1-2-6-12(11)18-15-10-17-13-7-3-4-8-14(13)19-15/h1-8,10H,9H2,(H,18,19)
InChIKeyWQNZKMBTONMKSY-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.11
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]quinoxalin-2-amine

N-[2-(chloromethyl)phenyl]quinoxalin-2-amine (PubChem CID 65027944) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]quinoxalin-2-amine
PubChem CID65027944
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-[2-(chloromethyl)phenyl]quinoxalin-2-amine
SMILESClCc1ccccc1Nc1cnc2ccccc2n1
InChIInChI=1S/C15H12ClN3/c16-9-11-5-1-2-6-12(11)18-15-10-17-13-7-3-4-8-14(13)19-15/h1-8,10H,9H2,(H,18,19)
InChIKeyWQNZKMBTONMKSY-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(chloromethyl)phenyl]quinoxalin-2-amine 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-[2-(chloromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of N-[2-(chloromethyl)phenyl]quinoxalin-2-amine (CID 65027944) is N-[2-(chloromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)phenyl]quinoxalin-2-amine is ClCc1ccccc1Nc1cnc2ccccc2n1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is WQNZKMBTONMKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-9-11-5-1-2-6-12(11)18-15-10-17-13-7-3-4-8-14(13)19-15/h1-8,10H,9H2,(H,18,19).
What are the key properties of N-[2-(chloromethyl)phenyl]quinoxalin-2-amine?
N-[2-(chloromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 269.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 65027944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).