cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone

C17H13NOS — CID 43808672

IUPACcyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2cccc3cnccc23)s1)C1CC1
InChIInChI=1S/C17H13NOS/c19-17(11-4-5-11)16-7-6-15(20-16)14-3-1-2-12-10-18-9-8-13(12)14/h1-3,6-11H,4-5H2
InChIKeyQJSWWHOWFDICNY-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.56
Rot. Bonds3

About cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone

cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone (PubChem CID 43808672) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
PubChem CID43808672
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Namecyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2cccc3cnccc23)s1)C1CC1
InChIInChI=1S/C17H13NOS/c19-17(11-4-5-11)16-7-6-15(20-16)14-3-1-2-12-10-18-9-8-13(12)14/h1-3,6-11H,4-5H2
InChIKeyQJSWWHOWFDICNY-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-isoquinolin-5-ylthiophen-2-amine
CID 164918805
5-isoquinolin-5-ylthiophene-2-carbaldehyde
CID 43808666
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
CID 116785248
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193
8-(5-isoquinolin-5-ylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one
CID 44562591
2-isoquinolin-5-ylbenzamide
CID 39817654
5-(2-ethynylphenyl)isoquinoline
CID 172649261
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
6-isoquinolin-5-ylpyridin-3-ol
CID 83128969
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone?
The IUPAC name of cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone (CID 43808672) is cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone?
The canonical SMILES for cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone is O=C(c1ccc(-c2cccc3cnccc23)s1)C1CC1.
What is the InChIKey of cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone?
The InChIKey is QJSWWHOWFDICNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(11-4-5-11)16-7-6-15(20-16)14-3-1-2-12-10-18-9-8-13(12)14/h1-3,6-11H,4-5H2.
What are the key properties of cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone?
cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone has a molecular weight of 279.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone is sourced from PubChem (CID 43808672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).