2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide

C14H8Cl2N2O2S — CID 24863364

IUPAC2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(=O)[nH]ccc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H8Cl2N2O2S/c15-11-6-10(12(16)21-11)14(20)18-8-1-2-9-7(5-8)3-4-17-13(9)19/h1-6H,(H,17,19)(H,18,20)
InChIKeyPFYQBVCPMKTPSE-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.15
Rot. Bonds2

About 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide

2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide (PubChem CID 24863364) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide
PubChem CID24863364
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(=O)[nH]ccc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H8Cl2N2O2S/c15-11-6-10(12(16)21-11)14(20)18-8-1-2-9-7(5-8)3-4-17-13(9)19/h1-6H,(H,17,19)(H,18,20)
InChIKeyPFYQBVCPMKTPSE-UHFFFAOYSA-N
XLogP4.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
CID 68873416
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113228330
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
CID 103806044
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
CID 155952448
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
2-fluoro-N-(1-oxo-2H-isoquinolin-6-yl)-2-pyrrolidin-3-ylacetamide
CID 167977687
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
CID 155952939
(2S)-2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
CID 86270580
4-N-[4-[(2,5-dichlorothiophene-3-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424105

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide (CID 24863364) is 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide is O=C(Nc1ccc2c(=O)[nH]ccc2c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide?
The InChIKey is PFYQBVCPMKTPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-11-6-10(12(16)21-11)14(20)18-8-1-2-9-7(5-8)3-4-17-13(9)19/h1-6H,(H,17,19)(H,18,20).
What are the key properties of 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide has a molecular weight of 339.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide is sourced from PubChem (CID 24863364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).