3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone

C23H19FN2OS — CID 3225355

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
SMILESO=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCCc2ccccc21
InChIInChI=1S/C23H19FN2OS/c24-18-9-7-16(8-10-18)15-26-20-11-13-28-22(20)14-21(26)23(27)25-12-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-11,13-14H,3,5,12,15H2
InChIKeyOCCGECUUUGBYNI-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.48
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone (PubChem CID 3225355) has the molecular formula C23H19FN2OS and a molecular weight of 390.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
PubChem CID3225355
Molecular FormulaC23H19FN2OS
Molecular Weight390.48 g/mol
Exact Mass390.12
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
SMILESO=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCCc2ccccc21
InChIInChI=1S/C23H19FN2OS/c24-18-9-7-16(8-10-18)15-26-20-11-13-28-22(20)14-21(26)23(27)25-12-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-11,13-14H,3,5,12,15H2
InChIKeyOCCGECUUUGBYNI-UHFFFAOYSA-N
XLogP5.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone (CID 3225355) is 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone is O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
The InChIKey is OCCGECUUUGBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2OS/c24-18-9-7-16(8-10-18)15-26-20-11-13-28-22(20)14-21(26)23(27)25-12-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-11,13-14H,3,5,12,15H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone is sourced from PubChem (CID 3225355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).