1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine

C15H12Cl2N2S — CID 107968230

IUPAC1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1cccc2cnccc12
InChIInChI=1S/C15H12Cl2N2S/c1-18-14(12-7-13(16)20-15(12)17)11-4-2-3-9-8-19-6-5-10(9)11/h2-8,14,18H,1H3
InChIKeyFEQVZHIADPGJRU-UHFFFAOYSA-N
MW323.25 g/mol
LogP4.91
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine

1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine (PubChem CID 107968230) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
PubChem CID107968230
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1cccc2cnccc12
InChIInChI=1S/C15H12Cl2N2S/c1-18-14(12-7-13(16)20-15(12)17)11-4-2-3-9-8-19-6-5-10(9)11/h2-8,14,18H,1H3
InChIKeyFEQVZHIADPGJRU-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 107968631
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154
1-(3,6-dimethylpyridazin-4-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 105143499
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
1-(5-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 114894681
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 107961061
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115853114

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine (CID 107968230) is 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine is CNC(c1cc(Cl)sc1Cl)c1cccc2cnccc12.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine?
The InChIKey is FEQVZHIADPGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-18-14(12-7-13(16)20-15(12)17)11-4-2-3-9-8-19-6-5-10(9)11/h2-8,14,18H,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine?
1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine has a molecular weight of 323.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine is sourced from PubChem (CID 107968230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).