8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline

C19H18ClNO4S — CID 59379041

IUPAC8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline
SMILESCCS(=O)(=O)c1cc(OCc2ccc(OC)cc2)c2cccc(Cl)c2n1
InChIInChI=1S/C19H18ClNO4S/c1-3-26(22,23)18-11-17(15-5-4-6-16(20)19(15)21-18)25-12-13-7-9-14(24-2)10-8-13/h4-11H,3,12H2,1-2H3
InChIKeyZFMBKKJBZHYVON-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.27
Rot. Bonds6

About 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline

8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline (PubChem CID 59379041) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline.

Molecular Properties

Compound Name8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline
PubChem CID59379041
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC Name8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline
SMILESCCS(=O)(=O)c1cc(OCc2ccc(OC)cc2)c2cccc(Cl)c2n1
InChIInChI=1S/C19H18ClNO4S/c1-3-26(22,23)18-11-17(15-5-4-6-16(20)19(15)21-18)25-12-13-7-9-14(24-2)10-8-13/h4-11H,3,12H2,1-2H3
InChIKeyZFMBKKJBZHYVON-UHFFFAOYSA-N
XLogP4.27
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]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-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline?
The IUPAC name of 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline (CID 59379041) is 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline.
What is the SMILES notation for 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline?
The canonical SMILES for 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline is CCS(=O)(=O)c1cc(OCc2ccc(OC)cc2)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline?
The InChIKey is ZFMBKKJBZHYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-3-26(22,23)18-11-17(15-5-4-6-16(20)19(15)21-18)25-12-13-7-9-14(24-2)10-8-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline?
8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline has a molecular weight of 391.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethylsulfonyl-4-[(4-methoxyphenyl)methoxy]quinoline is sourced from PubChem (CID 59379041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).