6-hexyl-4-pyridin-4-yloxyquinoline

C20H22N2O — CID 175902136

IUPAC6-hexyl-4-pyridin-4-yloxyquinoline
SMILESCCCCCCc1ccc2nccc(Oc3ccncc3)c2c1
InChIInChI=1S/C20H22N2O/c1-2-3-4-5-6-16-7-8-19-18(15-16)20(11-14-22-19)23-17-9-12-21-13-10-17/h7-15H,2-6H2,1H3
InChIKeyTXTYXNONKFSREJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.54
Rot. Bonds7

About 6-hexyl-4-pyridin-4-yloxyquinoline

6-hexyl-4-pyridin-4-yloxyquinoline (PubChem CID 175902136) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-hexyl-4-pyridin-4-yloxyquinoline.

Molecular Properties

Compound Name6-hexyl-4-pyridin-4-yloxyquinoline
PubChem CID175902136
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name6-hexyl-4-pyridin-4-yloxyquinoline
SMILESCCCCCCc1ccc2nccc(Oc3ccncc3)c2c1
InChIInChI=1S/C20H22N2O/c1-2-3-4-5-6-16-7-8-19-18(15-16)20(11-14-22-19)23-17-9-12-21-13-10-17/h7-15H,2-6H2,1H3
InChIKeyTXTYXNONKFSREJ-UHFFFAOYSA-N
XLogP5.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hexyl-4-pyridin-4-ylquinoline
CID 175901986
2-[(6-hexyl-4-pyridin-4-yloxyquinolin-2-yl)-methylamino]acetic acid
CID 156809416
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
4-(2-fluorophenyl)-6-hexylquinoline
CID 175902162
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199
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

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-4-pyridin-4-yloxyquinoline?
The IUPAC name of 6-hexyl-4-pyridin-4-yloxyquinoline (CID 175902136) is 6-hexyl-4-pyridin-4-yloxyquinoline.
What is the SMILES notation for 6-hexyl-4-pyridin-4-yloxyquinoline?
The canonical SMILES for 6-hexyl-4-pyridin-4-yloxyquinoline is CCCCCCc1ccc2nccc(Oc3ccncc3)c2c1.
What is the InChIKey of 6-hexyl-4-pyridin-4-yloxyquinoline?
The InChIKey is TXTYXNONKFSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-3-4-5-6-16-7-8-19-18(15-16)20(11-14-22-19)23-17-9-12-21-13-10-17/h7-15H,2-6H2,1H3.
What are the key properties of 6-hexyl-4-pyridin-4-yloxyquinoline?
6-hexyl-4-pyridin-4-yloxyquinoline has a molecular weight of 306.41 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-4-pyridin-4-yloxyquinoline is sourced from PubChem (CID 175902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).