2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline

C22H16Cl2FNO3S — CID 156809813

IUPAC2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline
SMILESO=S(=O)(C1=CCCc2nc(OCc3c(Cl)cccc3Cl)ccc21)c1ccc(F)cc1
InChIInChI=1S/C22H16Cl2FNO3S/c23-18-3-1-4-19(24)17(18)13-29-22-12-11-16-20(26-22)5-2-6-21(16)30(27,28)15-9-7-14(25)8-10-15/h1,3-4,6-12H,2,5,13H2
InChIKeyWVEHTWBCNPCAMR-UHFFFAOYSA-N
MW464.35 g/mol
LogP5.87
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline

2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline (PubChem CID 156809813) has the molecular formula C22H16Cl2FNO3S and a molecular weight of 464.35 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline
PubChem CID156809813
Molecular FormulaC22H16Cl2FNO3S
Molecular Weight464.35 g/mol
Exact Mass463.02
IUPAC Name2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline
SMILESO=S(=O)(C1=CCCc2nc(OCc3c(Cl)cccc3Cl)ccc21)c1ccc(F)cc1
InChIInChI=1S/C22H16Cl2FNO3S/c23-18-3-1-4-19(24)17(18)13-29-22-12-11-16-20(26-22)5-2-6-21(16)30(27,28)15-9-7-14(25)8-10-15/h1,3-4,6-12H,2,5,13H2
InChIKeyWVEHTWBCNPCAMR-UHFFFAOYSA-N
XLogP5.87
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline (CID 156809813) is 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline is O=S(=O)(C1=CCCc2nc(OCc3c(Cl)cccc3Cl)ccc21)c1ccc(F)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline?
The InChIKey is WVEHTWBCNPCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FNO3S/c23-18-3-1-4-19(24)17(18)13-29-22-12-11-16-20(26-22)5-2-6-21(16)30(27,28)15-9-7-14(25)8-10-15/h1,3-4,6-12H,2,5,13H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline?
2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline has a molecular weight of 464.35 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methoxy]-5-(4-fluorophenyl)sulfonyl-7,8-dihydroquinoline is sourced from PubChem (CID 156809813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).