2-chloro-6-hexyl-4-methylquinoline

C16H20ClN — CID 86217058

IUPAC2-chloro-6-hexyl-4-methylquinoline
SMILESCCCCCCc1ccc2nc(Cl)cc(C)c2c1
InChIInChI=1S/C16H20ClN/c1-3-4-5-6-7-13-8-9-15-14(11-13)12(2)10-16(17)18-15/h8-11H,3-7H2,1-2H3
InChIKeyDMMHJOVXYQYBCZ-UHFFFAOYSA-N
MW261.80 g/mol
LogP5.32
Rot. Bonds5

About 2-chloro-6-hexyl-4-methylquinoline

2-chloro-6-hexyl-4-methylquinoline (PubChem CID 86217058) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 2-chloro-6-hexyl-4-methylquinoline.

Molecular Properties

Compound Name2-chloro-6-hexyl-4-methylquinoline
PubChem CID86217058
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name2-chloro-6-hexyl-4-methylquinoline
SMILESCCCCCCc1ccc2nc(Cl)cc(C)c2c1
InChIInChI=1S/C16H20ClN/c1-3-4-5-6-7-13-8-9-15-14(11-13)12(2)10-16(17)18-15/h8-11H,3-7H2,1-2H3
InChIKeyDMMHJOVXYQYBCZ-UHFFFAOYSA-N
XLogP5.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.80
LogP ≤ 55.32
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

2-chloro-4-pentadecylquinoline
CID 3679887
6-butyl-4-chloro-2-ethylquinoline
CID 43668623
methyl 6-butyl-4-methylquinoline-2-carboxylate
CID 82574615
1,2-dimethyl-4-octylbenzene
CID 14044616
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
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128
2-butyl-6-chloro-4-methylquinoline
CID 23624331
6-butyl-2,3-dimethylquinolin-4-amine
CID 62202924
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-pentadecylpyridine
CID 174517606
3-butyl-6-hexyl-2-methylquinoxaline
CID 58269849
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
CID 22367590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hexyl-4-methylquinoline?
The IUPAC name of 2-chloro-6-hexyl-4-methylquinoline (CID 86217058) is 2-chloro-6-hexyl-4-methylquinoline.
What is the SMILES notation for 2-chloro-6-hexyl-4-methylquinoline?
The canonical SMILES for 2-chloro-6-hexyl-4-methylquinoline is CCCCCCc1ccc2nc(Cl)cc(C)c2c1.
What is the InChIKey of 2-chloro-6-hexyl-4-methylquinoline?
The InChIKey is DMMHJOVXYQYBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-3-4-5-6-7-13-8-9-15-14(11-13)12(2)10-16(17)18-15/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-chloro-6-hexyl-4-methylquinoline?
2-chloro-6-hexyl-4-methylquinoline has a molecular weight of 261.80 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hexyl-4-methylquinoline is sourced from PubChem (CID 86217058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).