isoquinolin-8-yl(thiophen-2-yl)methanone

C14H9NOS — CID 103133963

IUPACisoquinolin-8-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1cccc2ccncc12
InChIInChI=1S/C14H9NOS/c16-14(13-5-2-8-17-13)11-4-1-3-10-6-7-15-9-12(10)11/h1-9H
InChIKeyDQTLIOICKKUXLD-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.53
Rot. Bonds2

About isoquinolin-8-yl(thiophen-2-yl)methanone

isoquinolin-8-yl(thiophen-2-yl)methanone (PubChem CID 103133963) has the molecular formula C14H9NOS and a molecular weight of 239.30 g/mol. Its IUPAC name is isoquinolin-8-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-8-yl(thiophen-2-yl)methanone
PubChem CID103133963
Molecular FormulaC14H9NOS
Molecular Weight239.30 g/mol
Exact Mass239.04
IUPAC Nameisoquinolin-8-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1cccc2ccncc12
InChIInChI=1S/C14H9NOS/c16-14(13-5-2-8-17-13)11-4-1-3-10-6-7-15-9-12(10)11/h1-9H
InChIKeyDQTLIOICKKUXLD-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinoline-8-carboxylate
CID 86306452
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
CID 11681524
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone
CID 103133962
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl(thiophen-2-yl)methanone?
The IUPAC name of isoquinolin-8-yl(thiophen-2-yl)methanone (CID 103133963) is isoquinolin-8-yl(thiophen-2-yl)methanone.
What is the SMILES notation for isoquinolin-8-yl(thiophen-2-yl)methanone?
The canonical SMILES for isoquinolin-8-yl(thiophen-2-yl)methanone is O=C(c1cccs1)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl(thiophen-2-yl)methanone?
The InChIKey is DQTLIOICKKUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NOS/c16-14(13-5-2-8-17-13)11-4-1-3-10-6-7-15-9-12(10)11/h1-9H.
What are the key properties of isoquinolin-8-yl(thiophen-2-yl)methanone?
isoquinolin-8-yl(thiophen-2-yl)methanone has a molecular weight of 239.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 103133963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).