5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine

C15H18N2O2 — CID 106538566

IUPAC5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCCOC3)nccc12
InChIInChI=1S/C15H18N2O2/c1-18-14-6-2-5-13-12(14)7-8-16-15(13)17-11-4-3-9-19-10-11/h2,5-8,11H,3-4,9-10H2,1H3,(H,16,17)
InChIKeyPWSZMIDNNHBUFC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.83
Rot. Bonds3

About 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine

5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine (PubChem CID 106538566) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
PubChem CID106538566
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
SMILESCOc1cccc2c(NC3CCCOC3)nccc12
InChIInChI=1S/C15H18N2O2/c1-18-14-6-2-5-13-12(14)7-8-16-15(13)17-11-4-3-9-19-10-11/h2,5-8,11H,3-4,9-10H2,1H3,(H,16,17)
InChIKeyPWSZMIDNNHBUFC-UHFFFAOYSA-N
XLogP2.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-(oxan-3-yl)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-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536285
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 130639694
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-(oxan-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106538565

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine (CID 106538566) is 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine is COc1cccc2c(NC3CCCOC3)nccc12.
What is the InChIKey of 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine?
The InChIKey is PWSZMIDNNHBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-6-2-5-13-12(14)7-8-16-15(13)17-11-4-3-9-19-10-11/h2,5-8,11H,3-4,9-10H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine?
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106538566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).