[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine

C16H21N3O — CID 106543635

IUPAC[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
SMILESCOc1ccc2ccnc(N3CCC(C)C3CN)c2c1
InChIInChI=1S/C16H21N3O/c1-11-6-8-19(15(11)10-17)16-14-9-13(20-2)4-3-12(14)5-7-18-16/h3-5,7,9,11,15H,6,8,10,17H2,1-2H3
InChIKeyFFNOMZRNDYBVLM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.42
Rot. Bonds3

About [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine

[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 106543635) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
PubChem CID106543635
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
SMILESCOc1ccc2ccnc(N3CCC(C)C3CN)c2c1
InChIInChI=1S/C16H21N3O/c1-11-6-8-19(15(11)10-17)16-14-9-13(20-2)4-3-12(14)5-7-18-16/h3-5,7,9,11,15H,6,8,10,17H2,1-2H3
InChIKeyFFNOMZRNDYBVLM-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
CID 106536762
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
1-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-methoxyisoquinoline
CID 25180239
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
1-(7-methoxyisoquinolin-1-yl)piperidine-4-carboximidamide
CID 106537108
[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 106541556
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102783955

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine (CID 106543635) is [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine is COc1ccc2ccnc(N3CCC(C)C3CN)c2c1.
What is the InChIKey of [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is FFNOMZRNDYBVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-8-19(15(11)10-17)16-14-9-13(20-2)4-3-12(14)5-7-18-16/h3-5,7,9,11,15H,6,8,10,17H2,1-2H3.
What are the key properties of [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine?
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 106543635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).