4-hexyl-2-methylquinoline

C16H21N — CID 12861362

IUPAC4-hexyl-2-methylquinoline
SMILESCCCCCCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)17-16-11-8-7-10-15(14)16/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyAMPMDIYWSGILRK-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.67
Rot. Bonds5

About 4-hexyl-2-methylquinoline

4-hexyl-2-methylquinoline (PubChem CID 12861362) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-hexyl-2-methylquinoline.

Molecular Properties

Compound Name4-hexyl-2-methylquinoline
PubChem CID12861362
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4-hexyl-2-methylquinoline
SMILESCCCCCCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)17-16-11-8-7-10-15(14)16/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyAMPMDIYWSGILRK-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.67
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

2-chloro-4-pentadecylquinoline
CID 3679887
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367
4-ethyl-2-hexylquinoline
CID 143260250
2-hexyl-4-methylquinoline
CID 504074
1-(2-methylquinolin-4-yl)hexan-3-ol
CID 79424356
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
1-octadecylacridine
CID 87175858
(2-methylquinolin-4-yl)methanethiol
CID 79885955
1-hexadecylacridine;hydrochloride
CID 172754650
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
2-nonylquinolin-4-olate
CID 162840210

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-methylquinoline?
The IUPAC name of 4-hexyl-2-methylquinoline (CID 12861362) is 4-hexyl-2-methylquinoline.
What is the SMILES notation for 4-hexyl-2-methylquinoline?
The canonical SMILES for 4-hexyl-2-methylquinoline is CCCCCCc1cc(C)nc2ccccc12.
What is the InChIKey of 4-hexyl-2-methylquinoline?
The InChIKey is AMPMDIYWSGILRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)17-16-11-8-7-10-15(14)16/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 4-hexyl-2-methylquinoline?
4-hexyl-2-methylquinoline has a molecular weight of 227.35 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-methylquinoline is sourced from PubChem (CID 12861362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).