isoquinolin-1-yl(thiophen-2-yl)methanone

C14H9NOS — CID 4738060

IUPACisoquinolin-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1nccc2ccccc12
InChIInChI=1S/C14H9NOS/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9H
InChIKeyTXZLBASLJYAZHU-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.53
Rot. Bonds2

About isoquinolin-1-yl(thiophen-2-yl)methanone

isoquinolin-1-yl(thiophen-2-yl)methanone (PubChem CID 4738060) has the molecular formula C14H9NOS and a molecular weight of 239.30 g/mol. Its IUPAC name is isoquinolin-1-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl(thiophen-2-yl)methanone
PubChem CID4738060
Molecular FormulaC14H9NOS
Molecular Weight239.30 g/mol
Exact Mass239.04
IUPAC Nameisoquinolin-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1nccc2ccccc12
InChIInChI=1S/C14H9NOS/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9H
InChIKeyTXZLBASLJYAZHU-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

(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
N-[(1S,4S,5S)-2-(isoquinoline-1-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 87052826
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
(3,5-difluorophenyl)-isoquinolin-1-ylmethanone
CID 63949034
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
CID 11681524
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone
CID 63948426

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl(thiophen-2-yl)methanone?
The IUPAC name of isoquinolin-1-yl(thiophen-2-yl)methanone (CID 4738060) is isoquinolin-1-yl(thiophen-2-yl)methanone.
What is the SMILES notation for isoquinolin-1-yl(thiophen-2-yl)methanone?
The canonical SMILES for isoquinolin-1-yl(thiophen-2-yl)methanone is O=C(c1cccs1)c1nccc2ccccc12.
What is the InChIKey of isoquinolin-1-yl(thiophen-2-yl)methanone?
The InChIKey is TXZLBASLJYAZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NOS/c16-14(12-6-3-9-17-12)13-11-5-2-1-4-10(11)7-8-15-13/h1-9H.
What are the key properties of isoquinolin-1-yl(thiophen-2-yl)methanone?
isoquinolin-1-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-1-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 4738060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).