5-chloro-8-(6-chlorohexoxy)quinoline

C15H17Cl2NO — CID 55193642

IUPAC5-chloro-8-(6-chlorohexoxy)quinoline
SMILESClCCCCCCOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17Cl2NO/c16-9-3-1-2-4-11-19-14-8-7-13(17)12-6-5-10-18-15(12)14/h5-8,10H,1-4,9,11H2
InChIKeyDVMOISZEHTZIFI-UHFFFAOYSA-N
MW298.21 g/mol
LogP5.07
Rot. Bonds7

About 5-chloro-8-(6-chlorohexoxy)quinoline

5-chloro-8-(6-chlorohexoxy)quinoline (PubChem CID 55193642) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-chloro-8-(6-chlorohexoxy)quinoline.

Molecular Properties

Compound Name5-chloro-8-(6-chlorohexoxy)quinoline
PubChem CID55193642
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name5-chloro-8-(6-chlorohexoxy)quinoline
SMILESClCCCCCCOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17Cl2NO/c16-9-3-1-2-4-11-19-14-8-7-13(17)12-6-5-10-18-15(12)14/h5-8,10H,1-4,9,11H2
InChIKeyDVMOISZEHTZIFI-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.21
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-8-(6-chlorohexoxy)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

5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
N-[(4-chlorophenyl)methyl]-4-(5-chloroquinolin-8-yl)oxybutan-1-amine
CID 71517727
8-(6-chlorohexoxy)quinoline
CID 62228191
CID 12945983
CID 12945983
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428
O-dodecyl 2-(5-chloroquinolin-8-yl)oxyethanethioate
CID 19839509
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
4-[4-[3-(5-chloroquinolin-8-yl)oxypropoxy]phenyl]butan-2-one
CID 2216411
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(6-chlorohexoxy)quinoline?
The IUPAC name of 5-chloro-8-(6-chlorohexoxy)quinoline (CID 55193642) is 5-chloro-8-(6-chlorohexoxy)quinoline.
What is the SMILES notation for 5-chloro-8-(6-chlorohexoxy)quinoline?
The canonical SMILES for 5-chloro-8-(6-chlorohexoxy)quinoline is ClCCCCCCOc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-(6-chlorohexoxy)quinoline?
The InChIKey is DVMOISZEHTZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c16-9-3-1-2-4-11-19-14-8-7-13(17)12-6-5-10-18-15(12)14/h5-8,10H,1-4,9,11H2.
What are the key properties of 5-chloro-8-(6-chlorohexoxy)quinoline?
5-chloro-8-(6-chlorohexoxy)quinoline has a molecular weight of 298.21 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(6-chlorohexoxy)quinoline is sourced from PubChem (CID 55193642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).