7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine

C17H22N2O — CID 106538593

IUPAC7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3(C)CCCC3)c2c1
InChIInChI=1S/C17H22N2O/c1-17(8-3-4-9-17)12-19-16-15-11-14(20-2)6-5-13(15)7-10-18-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,18,19)
InChIKeyZRQPFQPZWOYJJN-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.24
Rot. Bonds4

About 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine

7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine (PubChem CID 106538593) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
PubChem CID106538593
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3(C)CCCC3)c2c1
InChIInChI=1S/C17H22N2O/c1-17(8-3-4-9-17)12-19-16-15-11-14(20-2)6-5-13(15)7-10-18-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,18,19)
InChIKeyZRQPFQPZWOYJJN-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
CID 106543616
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
7-methoxy-N-(3-methylpyrrolidin-3-yl)isoquinolin-1-amine
CID 107425236
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine (CID 106538593) is 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine is COc1ccc2ccnc(NCC3(C)CCCC3)c2c1.
What is the InChIKey of 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine?
The InChIKey is ZRQPFQPZWOYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(8-3-4-9-17)12-19-16-15-11-14(20-2)6-5-13(15)7-10-18-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,18,19).
What are the key properties of 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine?
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine has a molecular weight of 270.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106538593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).