1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone

C26H23FN2O3S — CID 20911285

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C26H23FN2O3S/c27-21-13-11-19(12-14-21)18-33(31,32)25-16-28(24-10-4-2-8-22(24)25)17-26(30)29-15-5-7-20-6-1-3-9-23(20)29/h1-4,6,8-14,16H,5,7,15,17-18H2
InChIKeyHFXRNKBHVKMWQM-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.73
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone (PubChem CID 20911285) has the molecular formula C26H23FN2O3S and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
PubChem CID20911285
Molecular FormulaC26H23FN2O3S
Molecular Weight462.55 g/mol
Exact Mass462.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C26H23FN2O3S/c27-21-13-11-19(12-14-21)18-33(31,32)25-16-28(24-10-4-2-8-22(24)25)17-26(30)29-15-5-7-20-6-1-3-9-23(20)29/h1-4,6,8-14,16H,5,7,15,17-18H2
InChIKeyHFXRNKBHVKMWQM-UHFFFAOYSA-N
XLogP4.73
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 30292449
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 20911218
2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 30292180
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(furan-2-carbonyl)indol-1-yl]ethanone
CID 1241915
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110370861
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
CID 20902781
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
CID 2228747
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone (CID 20911285) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone is O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
The InChIKey is HFXRNKBHVKMWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3S/c27-21-13-11-19(12-14-21)18-33(31,32)25-16-28(24-10-4-2-8-22(24)25)17-26(30)29-15-5-7-20-6-1-3-9-23(20)29/h1-4,6,8-14,16H,5,7,15,17-18H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone has a molecular weight of 462.55 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone is sourced from PubChem (CID 20911285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).