N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine

C17H23N3O — CID 107174267

IUPACN-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
SMILESCOc1ccc2c(N(C)C3CCCNCC3)nccc2c1
InChIInChI=1S/C17H23N3O/c1-20(14-4-3-9-18-10-8-14)17-16-6-5-15(21-2)12-13(16)7-11-19-17/h5-7,11-12,14,18H,3-4,8-10H2,1-2H3
InChIKeyFGXOETXLGHEISJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds3

About N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine

N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine (PubChem CID 107174267) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
PubChem CID107174267
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
SMILESCOc1ccc2c(N(C)C3CCCNCC3)nccc2c1
InChIInChI=1S/C17H23N3O/c1-20(14-4-3-9-18-10-8-14)17-16-6-5-15(21-2)12-13(16)7-11-19-17/h5-7,11-12,14,18H,3-4,8-10H2,1-2H3
InChIKeyFGXOETXLGHEISJ-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-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-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
CID 107174074
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
CID 107174242
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)-N'-methylethane-1,2-diamine
CID 106542318
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452
N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
CID 107174187
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 107174233
N-(2-bromo-3-methoxypropyl)-6-methoxy-N-methylisoquinolin-1-amine
CID 106542944

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine?
The IUPAC name of N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine (CID 107174267) is N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine.
What is the SMILES notation for N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine?
The canonical SMILES for N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine is COc1ccc2c(N(C)C3CCCNCC3)nccc2c1.
What is the InChIKey of N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine?
The InChIKey is FGXOETXLGHEISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(14-4-3-9-18-10-8-14)17-16-6-5-15(21-2)12-13(16)7-11-19-17/h5-7,11-12,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine?
N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine is sourced from PubChem (CID 107174267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).