3-N-(3-iodophenyl)quinoxaline-2,3-diamine

C14H11IN4 — CID 102985385

IUPAC3-N-(3-iodophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1cccc(I)c1
InChIInChI=1S/C14H11IN4/c15-9-4-3-5-10(8-9)17-14-13(16)18-11-6-1-2-7-12(11)19-14/h1-8H,(H2,16,18)(H,17,19)
InChIKeyNIXSIQAJBTUOSL-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.56
Rot. Bonds2

About 3-N-(3-iodophenyl)quinoxaline-2,3-diamine

3-N-(3-iodophenyl)quinoxaline-2,3-diamine (PubChem CID 102985385) has the molecular formula C14H11IN4 and a molecular weight of 362.17 g/mol. Its IUPAC name is 3-N-(3-iodophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-iodophenyl)quinoxaline-2,3-diamine
PubChem CID102985385
Molecular FormulaC14H11IN4
Molecular Weight362.17 g/mol
Exact Mass362.00
IUPAC Name3-N-(3-iodophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1cccc(I)c1
InChIInChI=1S/C14H11IN4/c15-9-4-3-5-10(8-9)17-14-13(16)18-11-6-1-2-7-12(11)19-14/h1-8H,(H2,16,18)(H,17,19)
InChIKeyNIXSIQAJBTUOSL-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
4-bromobenzenethiol;3-N-phenylquinoxaline-2,3-diamine
CID 145495804
3,5-dichloro-6-hydrazinyl-N-(3-iodophenyl)pyridin-2-amine
CID 102762322
3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
CID 102986358
3-N-(9-ethylcarbazol-3-yl)quinoxaline-2,3-diamine
CID 145495657
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
CID 102986610
3-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,3-diamine
CID 56663362
N-(4-iodophenyl)-3-methylquinoxalin-2-amine
CID 14937972

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-iodophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3-iodophenyl)quinoxaline-2,3-diamine (CID 102985385) is 3-N-(3-iodophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3-iodophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3-iodophenyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1Nc1cccc(I)c1.
What is the InChIKey of 3-N-(3-iodophenyl)quinoxaline-2,3-diamine?
The InChIKey is NIXSIQAJBTUOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN4/c15-9-4-3-5-10(8-9)17-14-13(16)18-11-6-1-2-7-12(11)19-14/h1-8H,(H2,16,18)(H,17,19).
What are the key properties of 3-N-(3-iodophenyl)quinoxaline-2,3-diamine?
3-N-(3-iodophenyl)quinoxaline-2,3-diamine has a molecular weight of 362.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-iodophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102985385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).