3-(3-methylbut-2-enoxy)quinoline

C14H15NO — CID 107388245

IUPAC3-(3-methylbut-2-enoxy)quinoline
SMILESCC(C)=CCOc1cnc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-11(2)7-8-16-13-9-12-5-3-4-6-14(12)15-10-13/h3-7,9-10H,8H2,1-2H3
InChIKeyZKYCFOSZPJNSHG-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.58
Rot. Bonds3

About 3-(3-methylbut-2-enoxy)quinoline

3-(3-methylbut-2-enoxy)quinoline (PubChem CID 107388245) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxy)quinoline.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxy)quinoline
PubChem CID107388245
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(3-methylbut-2-enoxy)quinoline
SMILESCC(C)=CCOc1cnc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-11(2)7-8-16-13-9-12-5-3-4-6-14(12)15-10-13/h3-7,9-10H,8H2,1-2H3
InChIKeyZKYCFOSZPJNSHG-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methylbut-2-enoxy)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

Pilavapadin
CID 118419773
3-Hydroxyquinoline
CID 11376
6-Methoxyquinoline
CID 14860
Stannane, (8-quinolinolato)tributyl-
CID 16683764
8-Acetoxyquinoline
CID 75777
8-Methoxy-2-Methylquinoline
CID 316986
5-Chloro-8-phenoxyquinoline
CID 2767025
7-Benzyloxyquinoline
CID 3035604
8-Methoxyquinoline
CID 70310
6-Methoxyquinaldine
CID 70648
8-Ethoxyquinoline
CID 73781
6-Ethoxy-2-methylquinoline
CID 81118

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxy)quinoline?
The IUPAC name of 3-(3-methylbut-2-enoxy)quinoline (CID 107388245) is 3-(3-methylbut-2-enoxy)quinoline.
What is the SMILES notation for 3-(3-methylbut-2-enoxy)quinoline?
The canonical SMILES for 3-(3-methylbut-2-enoxy)quinoline is CC(C)=CCOc1cnc2ccccc2c1.
What is the InChIKey of 3-(3-methylbut-2-enoxy)quinoline?
The InChIKey is ZKYCFOSZPJNSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11(2)7-8-16-13-9-12-5-3-4-6-14(12)15-10-13/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxy)quinoline?
3-(3-methylbut-2-enoxy)quinoline has a molecular weight of 213.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxy)quinoline is sourced from PubChem (CID 107388245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).