2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone

C16H17NOS — CID 43227229

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCc3ccccc32)s1
InChIInChI=1S/C16H17NOS/c1-12-8-9-16(19-12)15(18)11-17-10-4-6-13-5-2-3-7-14(13)17/h2-3,5,7-9H,4,6,10-11H2,1H3
InChIKeyVOYQRKRZAMKFIN-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.69
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43227229) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43227229
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCc3ccccc32)s1
InChIInChI=1S/C16H17NOS/c1-12-8-9-16(19-12)15(18)11-17-10-4-6-13-5-2-3-7-14(13)17/h2-3,5,7-9H,4,6,10-11H2,1H3
InChIKeyVOYQRKRZAMKFIN-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 43227229) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN2CCCc3ccccc32)s1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is VOYQRKRZAMKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-8-9-16(19-12)15(18)11-17-10-4-6-13-5-2-3-7-14(13)17/h2-3,5,7-9H,4,6,10-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 271.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43227229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).