aniline;quinoxaline

C14H13N3 — CID 70629272

IUPACaniline;quinoxaline
SMILESNc1ccccc1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C6H7N/c1-2-4-8-7(3-1)9-5-6-10-8;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2
InChIKeyGNMSMZBWGBUGFE-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.90
Rot. Bonds

About aniline;quinoxaline

aniline;quinoxaline (PubChem CID 70629272) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is aniline;quinoxaline.

Molecular Properties

Compound Nameaniline;quinoxaline
PubChem CID70629272
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Nameaniline;quinoxaline
SMILESNc1ccccc1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C6H7N/c1-2-4-8-7(3-1)9-5-6-10-8;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2
InChIKeyGNMSMZBWGBUGFE-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iron;quinoxaline
CID 161047921
zinc;aniline;dichloride
CID 70636252
aniline;pyrimidin-2-amine
CID 160724297
formonitrile;quinoxaline
CID 70466882
aniline;mercury(2+)
CID 23616182
aniline;mercury
CID 54604260
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
phenol;quinoxaline;hydrate
CID 174252210
2-aminoacetic acid;quinoxaline
CID 174689994
aniline;carbanide;ethane;yttrium
CID 160556611
butane;quinoxaline
CID 143489739

Frequently Asked Questions

What is the IUPAC name of aniline;quinoxaline?
The IUPAC name of aniline;quinoxaline (CID 70629272) is aniline;quinoxaline.
What is the SMILES notation for aniline;quinoxaline?
The canonical SMILES for aniline;quinoxaline is Nc1ccccc1.c1ccc2nccnc2c1.
What is the InChIKey of aniline;quinoxaline?
The InChIKey is GNMSMZBWGBUGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H7N/c1-2-4-8-7(3-1)9-5-6-10-8;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2.
What are the key properties of aniline;quinoxaline?
aniline;quinoxaline has a molecular weight of 223.28 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;quinoxaline is sourced from PubChem (CID 70629272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).