7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine

C15H18N2O — CID 106539528

IUPAC7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CC(C)C3)c2c1
InChIInChI=1S/C15H18N2O/c1-10-7-12(8-10)17-15-14-9-13(18-2)4-3-11(14)5-6-16-15/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyIGGGRXTXDLQJHL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.45
Rot. Bonds3

About 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine

7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine (PubChem CID 106539528) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
PubChem CID106539528
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CC(C)C3)c2c1
InChIInChI=1S/C15H18N2O/c1-10-7-12(8-10)17-15-14-9-13(18-2)4-3-11(14)5-6-16-15/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyIGGGRXTXDLQJHL-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-N-(3-methylcyclobutyl)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

7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
CID 106538857
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-(2-chlorocycloheptyl)-7-methoxyisoquinolin-1-amine
CID 106543045
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine (CID 106539528) is 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine is COc1ccc2ccnc(NC3CC(C)C3)c2c1.
What is the InChIKey of 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine?
The InChIKey is IGGGRXTXDLQJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-7-12(8-10)17-15-14-9-13(18-2)4-3-11(14)5-6-16-15/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine?
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine is sourced from PubChem (CID 106539528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).