7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine

C16H16N2OS — CID 106539104

IUPAC7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3sccc3C)c2c1
InChIInChI=1S/C16H16N2OS/c1-11-6-8-20-15(11)10-18-16-14-9-13(19-2)4-3-12(14)5-7-17-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRMPLHXYBEIPJHK-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.23
Rot. Bonds4

About 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine

7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine (PubChem CID 106539104) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
PubChem CID106539104
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3sccc3C)c2c1
InChIInChI=1S/C16H16N2OS/c1-11-6-8-20-15(11)10-18-16-14-9-13(19-2)4-3-12(14)5-7-17-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRMPLHXYBEIPJHK-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106539045
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine (CID 106539104) is 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine is COc1ccc2ccnc(NCc3sccc3C)c2c1.
What is the InChIKey of 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine?
The InChIKey is RMPLHXYBEIPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-6-8-20-15(11)10-18-16-14-9-13(19-2)4-3-12(14)5-7-17-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine?
7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine has a molecular weight of 284.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106539104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).