iridium;1-pentyl-2H-quinoline

C14H19IrN — CID 157228935

IUPACiridium;1-pentyl-2H-quinoline
SMILESCCCCCN1CC=Cc2ccccc21.[Ir]
InChIInChI=1S/C14H19N.Ir/c1-2-3-6-11-15-12-7-9-13-8-4-5-10-14(13)15;/h4-5,7-10H,2-3,6,11-12H2,1H3;
InChIKeyATWNIBNPYBGIQH-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.71
Rot. Bonds4

About iridium;1-pentyl-2H-quinoline

iridium;1-pentyl-2H-quinoline (PubChem CID 157228935) has the molecular formula C14H19IrN and a molecular weight of 393.53 g/mol. Its IUPAC name is iridium;1-pentyl-2H-quinoline.

Molecular Properties

Compound Nameiridium;1-pentyl-2H-quinoline
PubChem CID157228935
Molecular FormulaC14H19IrN
Molecular Weight393.53 g/mol
Exact Mass394.11
IUPAC Nameiridium;1-pentyl-2H-quinoline
SMILESCCCCCN1CC=Cc2ccccc21.[Ir]
InChIInChI=1S/C14H19N.Ir/c1-2-3-6-11-15-12-7-9-13-8-4-5-10-14(13)15;/h4-5,7-10H,2-3,6,11-12H2,1H3;
InChIKeyATWNIBNPYBGIQH-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2H-quinoline;hexafluoroantimony(1-)
CID 175158891
3-(2H-quinolin-1-yl)propan-1-amine
CID 150712168
1-[(3-decoxyphenyl)methyl]-2H-quinoline
CID 141407473
2-(2H-quinolin-1-yl)ethyl formate
CID 174470598
butyl 2H-quinoline-1-carboxylate
CID 68759380
1-methyl-2H-quinoline;hydrate;dihydroiodide
CID 174675157
1-(4-octadecoxyphenyl)-2H-quinoline
CID 141383643
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
2-(2H-quinolin-1-yl)acetic acid;sulfuric acid
CID 175129650
4-methyl-1-octyl-2H-quinoline;hydrobromide
CID 174189312
6-fluoro-1-pentyl-2H-1,8-naphthyridine
CID 67803515
hexafluoroantimony(1-);1-phenyl-2-(2H-quinolin-1-yl)ethanone
CID 175158866

Frequently Asked Questions

What is the IUPAC name of iridium;1-pentyl-2H-quinoline?
The IUPAC name of iridium;1-pentyl-2H-quinoline (CID 157228935) is iridium;1-pentyl-2H-quinoline.
What is the SMILES notation for iridium;1-pentyl-2H-quinoline?
The canonical SMILES for iridium;1-pentyl-2H-quinoline is CCCCCN1CC=Cc2ccccc21.[Ir].
What is the InChIKey of iridium;1-pentyl-2H-quinoline?
The InChIKey is ATWNIBNPYBGIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.Ir/c1-2-3-6-11-15-12-7-9-13-8-4-5-10-14(13)15;/h4-5,7-10H,2-3,6,11-12H2,1H3;.
What are the key properties of iridium;1-pentyl-2H-quinoline?
iridium;1-pentyl-2H-quinoline has a molecular weight of 393.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-pentyl-2H-quinoline is sourced from PubChem (CID 157228935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).