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

C16H20N2O — CID 106539967

IUPAC7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCC(C)C3)c2c1
InChIInChI=1S/C16H20N2O/c1-11-3-5-13(9-11)18-16-15-10-14(19-2)6-4-12(15)7-8-17-16/h4,6-8,10-11,13H,3,5,9H2,1-2H3,(H,17,18)
InChIKeyOYFXMRQWGKGSRV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.84
Rot. Bonds3

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

7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine (PubChem CID 106539967) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
PubChem CID106539967
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCC(C)C3)c2c1
InChIInChI=1S/C16H20N2O/c1-11-3-5-13(9-11)18-16-15-10-14(19-2)6-4-12(15)7-8-17-16/h4,6-8,10-11,13H,3,5,9H2,1-2H3,(H,17,18)
InChIKeyOYFXMRQWGKGSRV-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-N-(3-methylcyclopentyl)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-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
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-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
CID 106538857
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-methylcyclopentyl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine (CID 106539967) is 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine is COc1ccc2ccnc(NC3CCC(C)C3)c2c1.
What is the InChIKey of 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine?
The InChIKey is OYFXMRQWGKGSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-3-5-13(9-11)18-16-15-10-14(19-2)6-4-12(15)7-8-17-16/h4,6-8,10-11,13H,3,5,9H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine?
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.84, 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-methylcyclopentyl)isoquinolin-1-amine is sourced from PubChem (CID 106539967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).