3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine

C14H16N2O — CID 116995308

IUPAC3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
SMILESCOc1ccc2ccnc(C3CC(N)C3)c2c1
InChIInChI=1S/C14H16N2O/c1-17-12-3-2-9-4-5-16-14(13(9)8-12)10-6-11(15)7-10/h2-5,8,10-11H,6-7,15H2,1H3
InChIKeyJYSNDLKXABEROC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds2

About 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine

3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine (PubChem CID 116995308) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
PubChem CID116995308
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
SMILESCOc1ccc2ccnc(C3CC(N)C3)c2c1
InChIInChI=1S/C14H16N2O/c1-17-12-3-2-9-4-5-16-14(13(9)8-12)10-6-11(15)7-10/h2-5,8,10-11H,6-7,15H2,1H3
InChIKeyJYSNDLKXABEROC-UHFFFAOYSA-N
XLogP2.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dimethoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995190
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine
CID 116995399
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid
CID 116995318
1-ethyl-7-methoxyisoquinoline
CID 119092688
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine (CID 116995308) is 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine is COc1ccc2ccnc(C3CC(N)C3)c2c1.
What is the InChIKey of 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine?
The InChIKey is JYSNDLKXABEROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-12-3-2-9-4-5-16-14(13(9)8-12)10-6-11(15)7-10/h2-5,8,10-11H,6-7,15H2,1H3.
What are the key properties of 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine?
3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 116995308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).