8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline

C19H18ClNO2 — CID 2284673

IUPAC8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline
SMILESCc1cccc(Cl)c1OCCCOc1cccc2cccnc12
InChIInChI=1S/C19H18ClNO2/c1-14-6-2-9-16(20)19(14)23-13-5-12-22-17-10-3-7-15-8-4-11-21-18(15)17/h2-4,6-11H,5,12-13H2,1H3
InChIKeyQEZCNPHOIVDDEY-UHFFFAOYSA-N
MW327.81 g/mol
LogP5.04
Rot. Bonds6

About 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline

8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline (PubChem CID 2284673) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline
PubChem CID2284673
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline
SMILESCc1cccc(Cl)c1OCCCOc1cccc2cccnc12
InChIInChI=1S/C19H18ClNO2/c1-14-6-2-9-16(20)19(14)23-13-5-12-22-17-10-3-7-15-8-4-11-21-18(15)17/h2-4,6-11H,5,12-13H2,1H3
InChIKeyQEZCNPHOIVDDEY-UHFFFAOYSA-N
XLogP5.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[3-(2-chloro-6-methylphenoxy)propoxy]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 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline (CID 2284673) is 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline is Cc1cccc(Cl)c1OCCCOc1cccc2cccnc12.
What is the InChIKey of 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline?
The InChIKey is QEZCNPHOIVDDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-14-6-2-9-16(20)19(14)23-13-5-12-22-17-10-3-7-15-8-4-11-21-18(15)17/h2-4,6-11H,5,12-13H2,1H3.
What are the key properties of 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline?
8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline has a molecular weight of 327.81 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-chloro-6-methylphenoxy)propoxy]quinoline is sourced from PubChem (CID 2284673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).