7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine

C17H18N2OS — CID 106538064

IUPAC7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC(C)Cc3ccsc3)c2c1
InChIInChI=1S/C17H18N2OS/c1-12(9-13-6-8-21-11-13)19-17-16-10-15(20-2)4-3-14(16)5-7-18-17/h3-8,10-12H,9H2,1-2H3,(H,18,19)
InChIKeyINJQQVCXWWPUKI-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.35
Rot. Bonds5

About 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine

7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine (PubChem CID 106538064) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
PubChem CID106538064
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC(C)Cc3ccsc3)c2c1
InChIInChI=1S/C17H18N2OS/c1-12(9-13-6-8-21-11-13)19-17-16-10-15(20-2)4-3-14(16)5-7-18-17/h3-8,10-12H,9H2,1-2H3,(H,18,19)
InChIKeyINJQQVCXWWPUKI-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
N-(5-chloropentan-2-yl)-7-methoxyisoquinolin-1-amine
CID 106542820
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
6-methoxy-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106537504
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
2-N-(7-methoxyisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 106540646
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588895
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 106539278
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
2-[(7-methoxyisoquinolin-1-yl)amino]butanedioic acid
CID 103756130

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine (CID 106538064) is 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine is COc1ccc2ccnc(NC(C)Cc3ccsc3)c2c1.
What is the InChIKey of 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine?
The InChIKey is INJQQVCXWWPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(9-13-6-8-21-11-13)19-17-16-10-15(20-2)4-3-14(16)5-7-18-17/h3-8,10-12H,9H2,1-2H3,(H,18,19).
What are the key properties of 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine?
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 106538064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).