isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C18H15NOS — CID 114971887

IUPACisoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)c1cncc2ccccc12
InChIInChI=1S/C18H15NOS/c20-18(17-9-12-5-2-4-8-16(12)21-17)15-11-19-10-13-6-1-3-7-14(13)15/h1,3,6-7,9-11H,2,4-5,8H2
InChIKeyHPFKNOOELMJPDE-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.41
Rot. Bonds2

About isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 114971887) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID114971887
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Nameisoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)c1cncc2ccccc12
InChIInChI=1S/C18H15NOS/c20-18(17-9-12-5-2-4-8-16(12)21-17)15-11-19-10-13-6-1-3-7-14(13)15/h1,3,6-7,9-11H,2,4-5,8H2
InChIKeyHPFKNOOELMJPDE-UHFFFAOYSA-N
XLogP4.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone
CID 81429952
(5-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 63492515
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-methyl-3-pyridinyl)methanone
CID 115791727
(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463780
isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
CID 116612971
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114972947
isoquinolin-4-yl(pyridin-2-yl)methanone
CID 63940731

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 114971887) is isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(s1)CCCC2)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is HPFKNOOELMJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-18(17-9-12-5-2-4-8-16(12)21-17)15-11-19-10-13-6-1-3-7-14(13)15/h1,3,6-7,9-11H,2,4-5,8H2.
What are the key properties of isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 293.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 114971887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).