2-methyl-8-pent-4-ynoxyquinoline

C15H15NO — CID 75395956

IUPAC2-methyl-8-pent-4-ynoxyquinoline
SMILESC#CCCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C15H15NO/c1-3-4-5-11-17-14-8-6-7-13-10-9-12(2)16-15(13)14/h1,6-10H,4-5,11H2,2H3
InChIKeyYISPWHJFXOZLRM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-8-pent-4-ynoxyquinoline

2-methyl-8-pent-4-ynoxyquinoline (PubChem CID 75395956) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-8-pent-4-ynoxyquinoline.

Molecular Properties

Compound Name2-methyl-8-pent-4-ynoxyquinoline
PubChem CID75395956
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-methyl-8-pent-4-ynoxyquinoline
SMILESC#CCCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C15H15NO/c1-3-4-5-11-17-14-8-6-7-13-10-9-12(2)16-15(13)14/h1,6-10H,4-5,11H2,2H3
InChIKeyYISPWHJFXOZLRM-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
6-(2-methylquinolin-8-yl)oxyhexan-3-amine
CID 106800887
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
CID 75499778
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pent-4-ynoxyquinoline?
The IUPAC name of 2-methyl-8-pent-4-ynoxyquinoline (CID 75395956) is 2-methyl-8-pent-4-ynoxyquinoline.
What is the SMILES notation for 2-methyl-8-pent-4-ynoxyquinoline?
The canonical SMILES for 2-methyl-8-pent-4-ynoxyquinoline is C#CCCCOc1cccc2ccc(C)nc12.
What is the InChIKey of 2-methyl-8-pent-4-ynoxyquinoline?
The InChIKey is YISPWHJFXOZLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-4-5-11-17-14-8-6-7-13-10-9-12(2)16-15(13)14/h1,6-10H,4-5,11H2,2H3.
What are the key properties of 2-methyl-8-pent-4-ynoxyquinoline?
2-methyl-8-pent-4-ynoxyquinoline has a molecular weight of 225.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pent-4-ynoxyquinoline is sourced from PubChem (CID 75395956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).