6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine

C15H16N4O — CID 106539270

IUPAC6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCc3ccn(C)n3)nccc2c1
InChIInChI=1S/C15H16N4O/c1-19-8-6-12(18-19)10-17-15-14-4-3-13(20-2)9-11(14)5-7-16-15/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyBZZRLDPIGFDWTL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine

6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine (PubChem CID 106539270) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
PubChem CID106539270
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCc3ccn(C)n3)nccc2c1
InChIInChI=1S/C15H16N4O/c1-19-8-6-12(18-19)10-17-15-14-4-3-13(20-2)9-11(14)5-7-16-15/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyBZZRLDPIGFDWTL-UHFFFAOYSA-N
XLogP2.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
CID 106537955
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
CID 106537699
6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
CID 106539434
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
CID 106540003
6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine
CID 170435536
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
2-chloro-5-methoxy-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867022
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
CID 106537936

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine (CID 106539270) is 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine is COc1ccc2c(NCc3ccn(C)n3)nccc2c1.
What is the InChIKey of 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
The InChIKey is BZZRLDPIGFDWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-8-6-12(18-19)10-17-15-14-4-3-13(20-2)9-11(14)5-7-16-15/h3-9H,10H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106539270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).