2-chloro-4-pentadecylquinoline

C24H36ClN — CID 3679887

IUPAC2-chloro-4-pentadecylquinoline
SMILESCCCCCCCCCCCCCCCc1cc(Cl)nc2ccccc12
InChIInChI=1S/C24H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-20-24(25)26-23-19-16-15-18-22(21)23/h15-16,18-20H,2-14,17H2,1H3
InChIKeyNLURTKIFFCHXIV-UHFFFAOYSA-N
MW374.01 g/mol
LogP8.52
Rot. Bonds14

About 2-chloro-4-pentadecylquinoline

2-chloro-4-pentadecylquinoline (PubChem CID 3679887) has the molecular formula C24H36ClN and a molecular weight of 374.01 g/mol. Its IUPAC name is 2-chloro-4-pentadecylquinoline.

Molecular Properties

Compound Name2-chloro-4-pentadecylquinoline
PubChem CID3679887
Molecular FormulaC24H36ClN
Molecular Weight374.01 g/mol
Exact Mass373.25
IUPAC Name2-chloro-4-pentadecylquinoline
SMILESCCCCCCCCCCCCCCCc1cc(Cl)nc2ccccc12
InChIInChI=1S/C24H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-20-24(25)26-23-19-16-15-18-22(21)23/h15-16,18-20H,2-14,17H2,1H3
InChIKeyNLURTKIFFCHXIV-UHFFFAOYSA-N
XLogP8.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.01
LogP ≤ 58.52
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

4-hexyl-2-methylquinoline
CID 12861362
4-chloro-2-decylquinoline
CID 171487257
4-ethyl-2-hexylquinoline
CID 143260250
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
1-octadecylacridine
CID 87175858
4-chloro-2,3-didecylquinoline
CID 141080010
1-hexadecylacridine;hydrochloride
CID 172754650
2-nonylquinolin-4-olate
CID 162840210
2-hexyl-4-methylquinoline
CID 504074
2-chloro-6-hexyl-4-methylquinoline
CID 86217058
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
1-tetradecylnaphthalene
CID 14402128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pentadecylquinoline?
The IUPAC name of 2-chloro-4-pentadecylquinoline (CID 3679887) is 2-chloro-4-pentadecylquinoline.
What is the SMILES notation for 2-chloro-4-pentadecylquinoline?
The canonical SMILES for 2-chloro-4-pentadecylquinoline is CCCCCCCCCCCCCCCc1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-pentadecylquinoline?
The InChIKey is NLURTKIFFCHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-20-24(25)26-23-19-16-15-18-22(21)23/h15-16,18-20H,2-14,17H2,1H3.
What are the key properties of 2-chloro-4-pentadecylquinoline?
2-chloro-4-pentadecylquinoline has a molecular weight of 374.01 g/mol, XLogP of 8.52, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pentadecylquinoline is sourced from PubChem (CID 3679887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).