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

C17H16N2OS — CID 654157

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCn1c(C(=O)N2CCCc3ccccc32)cc2sccc21
InChIInChI=1S/C17H16N2OS/c1-18-14-8-10-21-16(14)11-15(18)17(20)19-9-4-6-12-5-2-3-7-13(12)19/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyMREOFXWHBGCHBO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.83
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 654157) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID654157
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCn1c(C(=O)N2CCCc3ccccc32)cc2sccc21
InChIInChI=1S/C17H16N2OS/c1-18-14-8-10-21-16(14)11-15(18)17(20)19-9-4-6-12-5-2-3-7-13(12)19/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyMREOFXWHBGCHBO-UHFFFAOYSA-N
XLogP3.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.83
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-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone (CID 654157) is 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone is Cn1c(C(=O)N2CCCc3ccccc32)cc2sccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is MREOFXWHBGCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-18-14-8-10-21-16(14)11-15(18)17(20)19-9-4-6-12-5-2-3-7-13(12)19/h2-3,5,7-8,10-11H,4,6,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 296.40 g/mol, XLogP of 3.83, 1 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-methylthieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 654157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).