8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline

C15H18ClNO3S — CID 70285829

IUPAC8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline
SMILESCCSc1cc(OC)c2ccc(OCCOC)c(Cl)c2n1
InChIInChI=1S/C15H18ClNO3S/c1-4-21-13-9-12(19-3)10-5-6-11(20-8-7-18-2)14(16)15(10)17-13/h5-6,9H,4,7-8H2,1-3H3
InChIKeyRFIWSOXGFMLFBK-UHFFFAOYSA-N
MW327.83 g/mol
LogP4.03
Rot. Bonds7

About 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline

8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline (PubChem CID 70285829) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline.

Molecular Properties

Compound Name8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline
PubChem CID70285829
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline
SMILESCCSc1cc(OC)c2ccc(OCCOC)c(Cl)c2n1
InChIInChI=1S/C15H18ClNO3S/c1-4-21-13-9-12(19-3)10-5-6-11(20-8-7-18-2)14(16)15(10)17-13/h5-6,9H,4,7-8H2,1-3H3
InChIKeyRFIWSOXGFMLFBK-UHFFFAOYSA-N
XLogP4.03
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)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-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline?
The IUPAC name of 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline (CID 70285829) is 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline.
What is the SMILES notation for 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline?
The canonical SMILES for 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline is CCSc1cc(OC)c2ccc(OCCOC)c(Cl)c2n1.
What is the InChIKey of 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline?
The InChIKey is RFIWSOXGFMLFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-4-21-13-9-12(19-3)10-5-6-11(20-8-7-18-2)14(16)15(10)17-13/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline?
8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline has a molecular weight of 327.83 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethylsulfanyl-4-methoxy-7-(2-methoxyethoxy)quinoline is sourced from PubChem (CID 70285829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).