6-hexyl-4-pyridin-4-ylquinoline

C20H22N2 — CID 175901986

IUPAC6-hexyl-4-pyridin-4-ylquinoline
SMILESCCCCCCc1ccc2nccc(-c3ccncc3)c2c1
InChIInChI=1S/C20H22N2/c1-2-3-4-5-6-16-7-8-20-19(15-16)18(11-14-22-20)17-9-12-21-13-10-17/h7-15H,2-6H2,1H3
InChIKeyHIVWOVBGZIPYNG-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.42
Rot. Bonds6

About 6-hexyl-4-pyridin-4-ylquinoline

6-hexyl-4-pyridin-4-ylquinoline (PubChem CID 175901986) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-hexyl-4-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-hexyl-4-pyridin-4-ylquinoline
PubChem CID175901986
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name6-hexyl-4-pyridin-4-ylquinoline
SMILESCCCCCCc1ccc2nccc(-c3ccncc3)c2c1
InChIInChI=1S/C20H22N2/c1-2-3-4-5-6-16-7-8-20-19(15-16)18(11-14-22-20)17-9-12-21-13-10-17/h7-15H,2-6H2,1H3
InChIKeyHIVWOVBGZIPYNG-UHFFFAOYSA-N
XLogP5.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenyl)-6-hexylquinoline
CID 175902162
6-hexyl-4-pyridin-4-yloxyquinoline
CID 175902136
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-hexyl-4-pyridin-4-yl-3-pyrrol-1-ylpyridine
CID 174694257
(4-octyl-2-pyridinyl)methanol
CID 156538031
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 89402899

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-4-pyridin-4-ylquinoline?
The IUPAC name of 6-hexyl-4-pyridin-4-ylquinoline (CID 175901986) is 6-hexyl-4-pyridin-4-ylquinoline.
What is the SMILES notation for 6-hexyl-4-pyridin-4-ylquinoline?
The canonical SMILES for 6-hexyl-4-pyridin-4-ylquinoline is CCCCCCc1ccc2nccc(-c3ccncc3)c2c1.
What is the InChIKey of 6-hexyl-4-pyridin-4-ylquinoline?
The InChIKey is HIVWOVBGZIPYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-3-4-5-6-16-7-8-20-19(15-16)18(11-14-22-20)17-9-12-21-13-10-17/h7-15H,2-6H2,1H3.
What are the key properties of 6-hexyl-4-pyridin-4-ylquinoline?
6-hexyl-4-pyridin-4-ylquinoline has a molecular weight of 290.41 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-4-pyridin-4-ylquinoline is sourced from PubChem (CID 175901986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).