6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine

C16H18N4O — CID 106539434

IUPAC6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
SMILESCOc1ccc2c(NCCCn3cccn3)nccc2c1
InChIInChI=1S/C16H18N4O/c1-21-14-4-5-15-13(12-14)6-9-18-16(15)17-7-2-10-20-11-3-8-19-20/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,17,18)
InChIKeyQTSOWNNCEZMHMC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.94
Rot. Bonds6

About 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine

6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine (PubChem CID 106539434) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
PubChem CID106539434
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
SMILESCOc1ccc2c(NCCCn3cccn3)nccc2c1
InChIInChI=1S/C16H18N4O/c1-21-14-4-5-15-13(12-14)6-9-18-16(15)17-7-2-10-20-11-3-8-19-20/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,17,18)
InChIKeyQTSOWNNCEZMHMC-UHFFFAOYSA-N
XLogP2.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
CID 106537955
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
6-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]isoquinolin-1-amine
CID 106538773
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
6-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinolin-1-amine
CID 106539948

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine (CID 106539434) is 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine is COc1ccc2c(NCCCn3cccn3)nccc2c1.
What is the InChIKey of 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine?
The InChIKey is QTSOWNNCEZMHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-14-4-5-15-13(12-14)6-9-18-16(15)17-7-2-10-20-11-3-8-19-20/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine?
6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine is sourced from PubChem (CID 106539434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).