5-chloro-8-(2-methylprop-2-enoxy)quinoline

C13H12ClNO — CID 86573843

IUPAC5-chloro-8-(2-methylprop-2-enoxy)quinoline
SMILESC=C(C)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H12ClNO/c1-9(2)8-16-12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7H,1,8H2,2H3
InChIKeyHOOHCWYWJIKYSF-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-8-(2-methylprop-2-enoxy)quinoline

5-chloro-8-(2-methylprop-2-enoxy)quinoline (PubChem CID 86573843) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-8-(2-methylprop-2-enoxy)quinoline.

Molecular Properties

Compound Name5-chloro-8-(2-methylprop-2-enoxy)quinoline
PubChem CID86573843
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name5-chloro-8-(2-methylprop-2-enoxy)quinoline
SMILESC=C(C)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H12ClNO/c1-9(2)8-16-12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7H,1,8H2,2H3
InChIKeyHOOHCWYWJIKYSF-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-8-(2-methylprop-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(2-methylprop-2-enoxy)quinoline?
The IUPAC name of 5-chloro-8-(2-methylprop-2-enoxy)quinoline (CID 86573843) is 5-chloro-8-(2-methylprop-2-enoxy)quinoline.
What is the SMILES notation for 5-chloro-8-(2-methylprop-2-enoxy)quinoline?
The canonical SMILES for 5-chloro-8-(2-methylprop-2-enoxy)quinoline is C=C(C)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-(2-methylprop-2-enoxy)quinoline?
The InChIKey is HOOHCWYWJIKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9(2)8-16-12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7H,1,8H2,2H3.
What are the key properties of 5-chloro-8-(2-methylprop-2-enoxy)quinoline?
5-chloro-8-(2-methylprop-2-enoxy)quinoline has a molecular weight of 233.70 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(2-methylprop-2-enoxy)quinoline is sourced from PubChem (CID 86573843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).