5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine

C15H16N4O — CID 106538538

IUPAC5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3nccn3C)nccc12
InChIInChI=1S/C15H16N4O/c1-19-9-8-16-14(19)10-18-15-12-4-3-5-13(20-2)11(12)6-7-17-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyDHECPUMXWAAYLC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine

5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine (PubChem CID 106538538) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
PubChem CID106538538
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCc3nccn3C)nccc12
InChIInChI=1S/C15H16N4O/c1-19-9-8-16-14(19)10-18-15-12-4-3-5-13(20-2)11(12)6-7-17-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyDHECPUMXWAAYLC-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

Analyze 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106537400
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946
5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
CID 106419042
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538907
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538714
5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
CID 106537769
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine (CID 106538538) is 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine is COc1cccc2c(NCc3nccn3C)nccc12.
What is the InChIKey of 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine?
The InChIKey is DHECPUMXWAAYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-9-8-16-14(19)10-18-15-12-4-3-5-13(20-2)11(12)6-7-17-15/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine?
5-methoxy-N-[(1-methylimidazol-2-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 5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106538538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).