N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine

C15H16N4O — CID 106537955

IUPACN-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(NCCn3ccnc3)nccc2c1
InChIInChI=1S/C15H16N4O/c1-20-13-2-3-14-12(10-13)4-5-17-15(14)18-7-9-19-8-6-16-11-19/h2-6,8,10-11H,7,9H2,1H3,(H,17,18)
InChIKeyAAJFGWUJBXQLBK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.55
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine

N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine (PubChem CID 106537955) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
PubChem CID106537955
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(NCCn3ccnc3)nccc2c1
InChIInChI=1S/C15H16N4O/c1-20-13-2-3-14-12(10-13)4-5-17-15(14)18-7-9-19-8-6-16-11-19/h2-6,8,10-11H,7,9H2,1H3,(H,17,18)
InChIKeyAAJFGWUJBXQLBK-UHFFFAOYSA-N
XLogP2.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
CID 106539434
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
CID 106539948
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
CID 106540003

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine (CID 106537955) is N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine is COc1ccc2c(NCCn3ccnc3)nccc2c1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine?
The InChIKey is AAJFGWUJBXQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-13-2-3-14-12(10-13)4-5-17-15(14)18-7-9-19-8-6-16-11-19/h2-6,8,10-11H,7,9H2,1H3,(H,17,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine?
N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).