3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline

C22H23ClN2O3S — CID 6625034

IUPAC3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3C)c2c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-5-3-4-12-25(15)22-19-13-17(28-2)8-11-20(19)24-14-21(22)29(26,27)18-9-6-16(23)7-10-18/h6-11,13-15H,3-5,12H2,1-2H3
InChIKeyIQPOTCDMUATQBP-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.11
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline

3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline (PubChem CID 6625034) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline
PubChem CID6625034
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3C)c2c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-5-3-4-12-25(15)22-19-13-17(28-2)8-11-20(19)24-14-21(22)29(26,27)18-9-6-16(23)7-10-18/h6-11,13-15H,3-5,12H2,1-2H3
InChIKeyIQPOTCDMUATQBP-UHFFFAOYSA-N
XLogP5.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)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 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline (CID 6625034) is 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline is COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3C)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline?
The InChIKey is IQPOTCDMUATQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-5-3-4-12-25(15)22-19-13-17(28-2)8-11-20(19)24-14-21(22)29(26,27)18-9-6-16(23)7-10-18/h6-11,13-15H,3-5,12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline?
3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline has a molecular weight of 430.96 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(2-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 6625034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).