1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline

C21H26FNO3S — CID 70883474

IUPAC1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline
SMILESCCCc1ccc(COc2cccc3c2N(S(=O)(=O)CC)CCC3)cc1F
InChIInChI=1S/C21H26FNO3S/c1-3-7-17-12-11-16(14-19(17)22)15-26-20-10-5-8-18-9-6-13-23(21(18)20)27(24,25)4-2/h5,8,10-12,14H,3-4,6-7,9,13,15H2,1-2H3
InChIKeyPGIBUFWOSGANMC-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.46
Rot. Bonds7

About 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline

1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline (PubChem CID 70883474) has the molecular formula C21H26FNO3S and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline
PubChem CID70883474
Molecular FormulaC21H26FNO3S
Molecular Weight391.51 g/mol
Exact Mass391.16
IUPAC Name1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline
SMILESCCCc1ccc(COc2cccc3c2N(S(=O)(=O)CC)CCC3)cc1F
InChIInChI=1S/C21H26FNO3S/c1-3-7-17-12-11-16(14-19(17)22)15-26-20-10-5-8-18-9-6-13-23(21(18)20)27(24,25)4-2/h5,8,10-12,14H,3-4,6-7,9,13,15H2,1-2H3
InChIKeyPGIBUFWOSGANMC-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline (CID 70883474) is 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline is CCCc1ccc(COc2cccc3c2N(S(=O)(=O)CC)CCC3)cc1F.
What is the InChIKey of 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline?
The InChIKey is PGIBUFWOSGANMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3S/c1-3-7-17-12-11-16(14-19(17)22)15-26-20-10-5-8-18-9-6-13-23(21(18)20)27(24,25)4-2/h5,8,10-12,14H,3-4,6-7,9,13,15H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline?
1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline has a molecular weight of 391.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-8-[(3-fluoro-4-propylphenyl)methoxy]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70883474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).