quinoline-8-carbonitrile;trihydrochloride

C10H9Cl3N2 — CID 141468212

IUPACquinoline-8-carbonitrile;trihydrochloride
SMILESCl.Cl.Cl.N#Cc1cccc2cccnc12
InChIInChI=1S/C10H6N2.3ClH/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;;;/h1-6H;3*1H
InChIKeyVGLQVWULADHNSH-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.37
Rot. Bonds

About quinoline-8-carbonitrile;trihydrochloride

quinoline-8-carbonitrile;trihydrochloride (PubChem CID 141468212) has the molecular formula C10H9Cl3N2 and a molecular weight of 263.56 g/mol. Its IUPAC name is quinoline-8-carbonitrile;trihydrochloride.

Molecular Properties

Compound Namequinoline-8-carbonitrile;trihydrochloride
PubChem CID141468212
Molecular FormulaC10H9Cl3N2
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Namequinoline-8-carbonitrile;trihydrochloride
SMILESCl.Cl.Cl.N#Cc1cccc2cccnc12
InChIInChI=1S/C10H6N2.3ClH/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;;;/h1-6H;3*1H
InChIKeyVGLQVWULADHNSH-UHFFFAOYSA-N
XLogP3.37
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(quinolin-8-ylamino)benzonitrile
CID 28601412
8-aminoquinoline-7-carbonitrile
CID 13439027
8-ethynylquinoline-7-carbonitrile
CID 121226483
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
CID 67942464
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
dicopper;pentakis(1,10-phenanthroline);dicyanide;diisothiocyanate;hexahydrate
CID 139055219
6-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436457
3-phenylquinoline-8-carbonitrile
CID 25208899
3-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436354
2-fluoropyridine-3-carbonitrile
CID 2783254

Frequently Asked Questions

What is the IUPAC name of quinoline-8-carbonitrile;trihydrochloride?
The IUPAC name of quinoline-8-carbonitrile;trihydrochloride (CID 141468212) is quinoline-8-carbonitrile;trihydrochloride.
What is the SMILES notation for quinoline-8-carbonitrile;trihydrochloride?
The canonical SMILES for quinoline-8-carbonitrile;trihydrochloride is Cl.Cl.Cl.N#Cc1cccc2cccnc12.
What is the InChIKey of quinoline-8-carbonitrile;trihydrochloride?
The InChIKey is VGLQVWULADHNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2.3ClH/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;;;/h1-6H;3*1H.
What are the key properties of quinoline-8-carbonitrile;trihydrochloride?
quinoline-8-carbonitrile;trihydrochloride has a molecular weight of 263.56 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-8-carbonitrile;trihydrochloride is sourced from PubChem (CID 141468212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).