1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C16H16N4O — CID 104515594

IUPAC1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)c1nccc2ccccc12
InChIInChI=1S/C16H16N4O/c1-17-14(15-16(21-2)20-10-9-19-15)13-12-6-4-3-5-11(12)7-8-18-13/h3-10,14,17H,1-2H3
InChIKeyUVANMIUJUYWBJM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.34
Rot. Bonds4

About 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 104515594) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID104515594
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)c1nccc2ccccc12
InChIInChI=1S/C16H16N4O/c1-17-14(15-16(21-2)20-10-9-19-15)13-12-6-4-3-5-11(12)7-8-18-13/h3-10,14,17H,1-2H3
InChIKeyUVANMIUJUYWBJM-UHFFFAOYSA-N
XLogP2.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methyl-1-quinolin-2-ylmethanamine
CID 104515575
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516094
1-(3,5-difluorophenyl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 63948041
1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032038
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 102647455
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
1-(3-methoxypyrazin-2-yl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103128065

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 104515594) is 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1nccnc1OC)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is UVANMIUJUYWBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-17-14(15-16(21-2)20-10-9-19-15)13-12-6-4-3-5-11(12)7-8-18-13/h3-10,14,17H,1-2H3.
What are the key properties of 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104515594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).