6-(4-methylpent-2-ynyl)quinoline

C15H15N — CID 144911863

IUPAC6-(4-methylpent-2-ynyl)quinoline
SMILESCC(C)C#CCc1ccc2ncccc2c1
InChIInChI=1S/C15H15N/c1-12(2)5-3-6-13-8-9-15-14(11-13)7-4-10-16-15/h4,7-12H,6H2,1-2H3
InChIKeyJMTSDYOOBPLFRH-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.44
Rot. Bonds1

About 6-(4-methylpent-2-ynyl)quinoline

6-(4-methylpent-2-ynyl)quinoline (PubChem CID 144911863) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-(4-methylpent-2-ynyl)quinoline.

Molecular Properties

Compound Name6-(4-methylpent-2-ynyl)quinoline
PubChem CID144911863
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name6-(4-methylpent-2-ynyl)quinoline
SMILESCC(C)C#CCc1ccc2ncccc2c1
InChIInChI=1S/C15H15N/c1-12(2)5-3-6-13-8-9-15-14(11-13)7-4-10-16-15/h4,7-12H,6H2,1-2H3
InChIKeyJMTSDYOOBPLFRH-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
3-quinolin-6-ylpropanenitrile
CID 53417284
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
bis(2-methylpropane);quinoline
CID 159945466

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpent-2-ynyl)quinoline?
The IUPAC name of 6-(4-methylpent-2-ynyl)quinoline (CID 144911863) is 6-(4-methylpent-2-ynyl)quinoline.
What is the SMILES notation for 6-(4-methylpent-2-ynyl)quinoline?
The canonical SMILES for 6-(4-methylpent-2-ynyl)quinoline is CC(C)C#CCc1ccc2ncccc2c1.
What is the InChIKey of 6-(4-methylpent-2-ynyl)quinoline?
The InChIKey is JMTSDYOOBPLFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-12(2)5-3-6-13-8-9-15-14(11-13)7-4-10-16-15/h4,7-12H,6H2,1-2H3.
What are the key properties of 6-(4-methylpent-2-ynyl)quinoline?
6-(4-methylpent-2-ynyl)quinoline has a molecular weight of 209.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpent-2-ynyl)quinoline is sourced from PubChem (CID 144911863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).