2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide

C10H7ClIN3O — CID 89193446

IUPAC2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide
SMILESO=C(I)CNc1nc2ccccc2nc1Cl
InChIInChI=1S/C10H7ClIN3O/c11-9-10(13-5-8(12)16)15-7-4-2-1-3-6(7)14-9/h1-4H,5H2,(H,13,15)
InChIKeyBYMLLWAHSBHZAE-UHFFFAOYSA-N
MW347.54 g/mol
LogP2.66
Rot. Bonds3

About 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide

2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide (PubChem CID 89193446) has the molecular formula C10H7ClIN3O and a molecular weight of 347.54 g/mol. Its IUPAC name is 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide.

Molecular Properties

Compound Name2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide
PubChem CID89193446
Molecular FormulaC10H7ClIN3O
Molecular Weight347.54 g/mol
Exact Mass346.93
IUPAC Name2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide
SMILESO=C(I)CNc1nc2ccccc2nc1Cl
InChIInChI=1S/C10H7ClIN3O/c11-9-10(13-5-8(12)16)15-7-4-2-1-3-6(7)14-9/h1-4H,5H2,(H,13,15)
InChIKeyBYMLLWAHSBHZAE-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
2-Chloro-3-(morpholin-4-yl)quinoxaline
CID 240828
2-Chloro-3-(pyrrolidin-1-yl)quinoxaline
CID 237892
2-Chloro-3-(piperazin-1-yl)quinoxaline hydrochloride
CID 12686417
3-Chloroquinoxalin-2-amine
CID 817274
2-Butyl-1-(3-methylquinoxalin-2-yl)guanidine
CID 12785700
N,N'-Diethylquinoxaline-2,3-diamine
CID 105206
N-butyl-3-chloro-2-quinoxalinamine
CID 3782320
2-Benzylamino-3-chloroquinoxaline
CID 14494309
Pyrazino[2,3-b]quinoxaline-2,3-diol
CID 5381995
3-chloro-N-phenylquinoxalin-2-amine
CID 24217974
2-Chloro-3-(piperidin-1-yl)quinoxaline
CID 237893

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide?
The IUPAC name of 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide (CID 89193446) is 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide.
What is the SMILES notation for 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide?
The canonical SMILES for 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide is O=C(I)CNc1nc2ccccc2nc1Cl.
What is the InChIKey of 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide?
The InChIKey is BYMLLWAHSBHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN3O/c11-9-10(13-5-8(12)16)15-7-4-2-1-3-6(7)14-9/h1-4H,5H2,(H,13,15).
What are the key properties of 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide?
2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide has a molecular weight of 347.54 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide is sourced from PubChem (CID 89193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).