2-hexyl-4-methylquinoline

C16H21N — CID 504074

IUPAC2-hexyl-4-methylquinoline
SMILESCCCCCCc1cc(C)c2ccccc2n1
InChIInChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)15-10-7-8-11-16(15)17-14/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyAVQOQWIDKGOSAM-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.67
Rot. Bonds5

About 2-hexyl-4-methylquinoline

2-hexyl-4-methylquinoline (PubChem CID 504074) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-hexyl-4-methylquinoline.

Molecular Properties

Compound Name2-hexyl-4-methylquinoline
PubChem CID504074
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-hexyl-4-methylquinoline
SMILESCCCCCCc1cc(C)c2ccccc2n1
InChIInChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)15-10-7-8-11-16(15)17-14/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyAVQOQWIDKGOSAM-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-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
4-ethyl-2-hexylquinoline
CID 143260250
2-nonylquinolin-4-olate
CID 162840210
4-chloro-2-decylquinoline
CID 171487257
2-pentylquinolin-4-amine
CID 14082309
4-methyl-2-(4,4,4-trifluorobutyl)quinoline
CID 164668878
2-(2-bromoethyl)-4-methylquinoline
CID 174495711
N-methyl-2-(4-methylquinolin-2-yl)ethanamine
CID 84619682
4-hexyl-2-methylquinoline
CID 12861362
2-octylquinoxaline
CID 141276580
4-methyl-2-(2,2,2-tribromoethyl)quinoline
CID 54392540
2-tetradecylquinoxaline
CID 21024312

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-methylquinoline?
The IUPAC name of 2-hexyl-4-methylquinoline (CID 504074) is 2-hexyl-4-methylquinoline.
What is the SMILES notation for 2-hexyl-4-methylquinoline?
The canonical SMILES for 2-hexyl-4-methylquinoline is CCCCCCc1cc(C)c2ccccc2n1.
What is the InChIKey of 2-hexyl-4-methylquinoline?
The InChIKey is AVQOQWIDKGOSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-4-5-6-9-14-12-13(2)15-10-7-8-11-16(15)17-14/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 2-hexyl-4-methylquinoline?
2-hexyl-4-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 2-hexyl-4-methylquinoline is sourced from PubChem (CID 504074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).