quinoline;quinoxaline

C17H13N3 — CID 66672759

IUPACquinoline;quinoxaline
SMILESc1ccc2ncccc2c1.c1ccc2nccnc2c1
InChIInChI=1S/C9H7N.C8H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8/h1-7H;1-6H
InChIKeyXYVVNRCEUUMOAX-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds

About quinoline;quinoxaline

quinoline;quinoxaline (PubChem CID 66672759) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is quinoline;quinoxaline.

Molecular Properties

Compound Namequinoline;quinoxaline
PubChem CID66672759
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Namequinoline;quinoxaline
SMILESc1ccc2ncccc2c1.c1ccc2nccnc2c1
InChIInChI=1S/C9H7N.C8H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8/h1-7H;1-6H
InChIKeyXYVVNRCEUUMOAX-UHFFFAOYSA-N
XLogP3.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

quinoline
CID 76974643
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
quinoline;titanium;hydrate
CID 174714429
quinoline;hydrochloride;hydroiodide
CID 161378453
CID 174859636
CID 174859636
nickel(2+);quinoline;diiodide
CID 162206226
quinoline;tetramethylsilane
CID 91292784

Frequently Asked Questions

What is the IUPAC name of quinoline;quinoxaline?
The IUPAC name of quinoline;quinoxaline (CID 66672759) is quinoline;quinoxaline.
What is the SMILES notation for quinoline;quinoxaline?
The canonical SMILES for quinoline;quinoxaline is c1ccc2ncccc2c1.c1ccc2nccnc2c1.
What is the InChIKey of quinoline;quinoxaline?
The InChIKey is XYVVNRCEUUMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8/h1-7H;1-6H.
What are the key properties of quinoline;quinoxaline?
quinoline;quinoxaline has a molecular weight of 259.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;quinoxaline is sourced from PubChem (CID 66672759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).