3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone

C14H13NOS — CID 750331

IUPAC3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCCc2ccccc21
InChIInChI=1S/C14H13NOS/c16-14(13-8-4-10-17-13)15-9-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyIVOXWMYBGUNLJR-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.34
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone

3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone (PubChem CID 750331) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone
PubChem CID750331
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCCc2ccccc21
InChIInChI=1S/C14H13NOS/c16-14(13-8-4-10-17-13)15-9-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyIVOXWMYBGUNLJR-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 137700027
N-(2-Ethylphenyl)-2-thiophenecarboxamide
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2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
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Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
3-(4-(Dimethylamino)phenyl)-1-(2-thienyl)-2-propen-1-one
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(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone (CID 750331) is 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone is O=C(c1cccs1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone?
The InChIKey is IVOXWMYBGUNLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14(13-8-4-10-17-13)15-9-3-6-11-5-1-2-7-12(11)15/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 750331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).