2-fluoro-3-pentylquinoline

C14H16FN — CID 67913215

IUPAC2-fluoro-3-pentylquinoline
SMILESCCCCCc1cc2ccccc2nc1F
InChIInChI=1S/C14H16FN/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h5-7,9-10H,2-4,8H2,1H3
InChIKeyZBPSNJUHVJJSJL-UHFFFAOYSA-N
MW217.29 g/mol
LogP4.11
Rot. Bonds4

About 2-fluoro-3-pentylquinoline

2-fluoro-3-pentylquinoline (PubChem CID 67913215) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-fluoro-3-pentylquinoline.

Molecular Properties

Compound Name2-fluoro-3-pentylquinoline
PubChem CID67913215
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name2-fluoro-3-pentylquinoline
SMILESCCCCCc1cc2ccccc2nc1F
InChIInChI=1S/C14H16FN/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h5-7,9-10H,2-4,8H2,1H3
InChIKeyZBPSNJUHVJJSJL-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-octylquinolin-2-amine
CID 23131231
1-octadecylacridine
CID 87175858
acridine;heptane
CID 158562494
3-pentylquinoline-2-sulfonic acid
CID 175263844
1-hexadecylacridine;hydrochloride
CID 172754650
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
3-hexylacridine
CID 21394642
3-(azidomethyl)-2-pentylquinoline
CID 174594811
4-hexyl-2-methylquinoline
CID 12861362
4-propylacridine
CID 609894
2-butyl-3-methylquinoline
CID 519104

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pentylquinoline?
The IUPAC name of 2-fluoro-3-pentylquinoline (CID 67913215) is 2-fluoro-3-pentylquinoline.
What is the SMILES notation for 2-fluoro-3-pentylquinoline?
The canonical SMILES for 2-fluoro-3-pentylquinoline is CCCCCc1cc2ccccc2nc1F.
What is the InChIKey of 2-fluoro-3-pentylquinoline?
The InChIKey is ZBPSNJUHVJJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 2-fluoro-3-pentylquinoline?
2-fluoro-3-pentylquinoline has a molecular weight of 217.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pentylquinoline is sourced from PubChem (CID 67913215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).