4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline

C16H14IN3 — CID 56662848

IUPAC4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3cc(I)ccc3n2)cc1
InChIInChI=1S/C16H14IN3/c1-20(2)13-6-3-11(4-7-13)16-10-18-15-9-12(17)5-8-14(15)19-16/h3-10H,1-2H3
InChIKeyVGDWTNPYLCZUAR-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.97
Rot. Bonds2

About 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline

4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline (PubChem CID 56662848) has the molecular formula C16H14IN3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline
PubChem CID56662848
Molecular FormulaC16H14IN3
Molecular Weight375.21 g/mol
Exact Mass375.02
IUPAC Name4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3cc(I)ccc3n2)cc1
InChIInChI=1S/C16H14IN3/c1-20(2)13-6-3-11(4-7-13)16-10-18-15-9-12(17)5-8-14(15)19-16/h3-10H,1-2H3
InChIKeyVGDWTNPYLCZUAR-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 1318
CID 1318
CID 61670
CID 61670
CID 7045
CID 7045
CID 11375
CID 11375
CID 72791
CID 72791
CID 72792
CID 72792
CID 93149
CID 93149
CID 243907
CID 243907
CID 11359
CID 11359
CID 76357
CID 76357
CID 5702759
CID 5702759
CID 23686
CID 23686

Frequently Asked Questions

What is the IUPAC name of 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline (CID 56662848) is 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3cc(I)ccc3n2)cc1.
What is the InChIKey of 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline?
The InChIKey is VGDWTNPYLCZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3/c1-20(2)13-6-3-11(4-7-13)16-10-18-15-9-12(17)5-8-14(15)19-16/h3-10H,1-2H3.
What are the key properties of 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline?
4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline has a molecular weight of 375.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodoquinoxalin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 56662848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).