5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine

C15H20N2O2 — CID 106538806

IUPAC5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
SMILESCOCCC(C)Nc1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O2/c1-11(8-10-18-2)17-15-13-5-4-6-14(19-3)12(13)7-9-16-15/h4-7,9,11H,8,10H2,1-3H3,(H,16,17)
InChIKeyKQXZRYMLGFIAQO-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.08
Rot. Bonds6

About 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine

5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine (PubChem CID 106538806) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
PubChem CID106538806
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
SMILESCOCCC(C)Nc1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O2/c1-11(8-10-18-2)17-15-13-5-4-6-14(19-3)12(13)7-9-16-15/h4-7,9,11H,8,10H2,1-3H3,(H,16,17)
InChIKeyKQXZRYMLGFIAQO-UHFFFAOYSA-N
XLogP3.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
CID 106542822
N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
5-bromo-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538805
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-(1-chloro-3-methoxypropan-2-yl)-5-methoxyisoquinolin-1-amine
CID 114154936
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
CID 106538035
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
5-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539648
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine (CID 106538806) is 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine is COCCC(C)Nc1nccc2c(OC)cccc12.
What is the InChIKey of 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine?
The InChIKey is KQXZRYMLGFIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(8-10-18-2)17-15-13-5-4-6-14(19-3)12(13)7-9-16-15/h4-7,9,11H,8,10H2,1-3H3,(H,16,17).
What are the key properties of 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine?
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 106538806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).