8-(4-methylpent-1-yn-3-yloxy)quinoline

C15H15NO — CID 87958681

IUPAC8-(4-methylpent-1-yn-3-yloxy)quinoline
SMILESC#CC(Oc1cccc2cccnc12)C(C)C
InChIInChI=1S/C15H15NO/c1-4-13(11(2)3)17-14-9-5-7-12-8-6-10-16-15(12)14/h1,5-11,13H,2-3H3
InChIKeySLTPWQVHBAFCPF-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.27
Rot. Bonds3

About 8-(4-methylpent-1-yn-3-yloxy)quinoline

8-(4-methylpent-1-yn-3-yloxy)quinoline (PubChem CID 87958681) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 8-(4-methylpent-1-yn-3-yloxy)quinoline.

Molecular Properties

Compound Name8-(4-methylpent-1-yn-3-yloxy)quinoline
PubChem CID87958681
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name8-(4-methylpent-1-yn-3-yloxy)quinoline
SMILESC#CC(Oc1cccc2cccnc12)C(C)C
InChIInChI=1S/C15H15NO/c1-4-13(11(2)3)17-14-9-5-7-12-8-6-10-16-15(12)14/h1,5-11,13H,2-3H3
InChIKeySLTPWQVHBAFCPF-UHFFFAOYSA-N
XLogP3.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(4-methylpent-1-yn-3-yloxy)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
2-quinolin-8-yloxypentan-3-one
CID 64868229
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
oxo(quinolin-8-yloxy)borane
CID 54325003
tri(quinolin-8-yloxy)alumane
CID 16683111
N-(2-quinolin-8-yloxypropyl)cyclopentanamine
CID 62597334
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
CID 62597332
2-quinolin-8-yloxybutanamide
CID 62901439
(1R)-1-(2-quinolin-8-yloxyphenyl)ethanol
CID 63372301
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
N-(2-quinolin-8-yloxypropyl)pentan-1-amine
CID 62597847

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpent-1-yn-3-yloxy)quinoline?
The IUPAC name of 8-(4-methylpent-1-yn-3-yloxy)quinoline (CID 87958681) is 8-(4-methylpent-1-yn-3-yloxy)quinoline.
What is the SMILES notation for 8-(4-methylpent-1-yn-3-yloxy)quinoline?
The canonical SMILES for 8-(4-methylpent-1-yn-3-yloxy)quinoline is C#CC(Oc1cccc2cccnc12)C(C)C.
What is the InChIKey of 8-(4-methylpent-1-yn-3-yloxy)quinoline?
The InChIKey is SLTPWQVHBAFCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-4-13(11(2)3)17-14-9-5-7-12-8-6-10-16-15(12)14/h1,5-11,13H,2-3H3.
What are the key properties of 8-(4-methylpent-1-yn-3-yloxy)quinoline?
8-(4-methylpent-1-yn-3-yloxy)quinoline has a molecular weight of 225.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpent-1-yn-3-yloxy)quinoline is sourced from PubChem (CID 87958681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).