1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine

C16H18N4 — CID 106777158

IUPAC1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
SMILESCCc1nccn1-c1ncc(CNC)c2ccccc12
InChIInChI=1S/C16H18N4/c1-3-15-18-8-9-20(15)16-14-7-5-4-6-13(14)12(10-17-2)11-19-16/h4-9,11,17H,3,10H2,1-2H3
InChIKeyAYTLZGMZUTYPLW-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine

1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine (PubChem CID 106777158) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
PubChem CID106777158
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
SMILESCCc1nccn1-c1ncc(CNC)c2ccccc12
InChIInChI=1S/C16H18N4/c1-3-15-18-8-9-20(15)16-14-7-5-4-6-13(14)12(10-17-2)11-19-16/h4-9,11,17H,3,10H2,1-2H3
InChIKeyAYTLZGMZUTYPLW-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine (CID 106777158) is 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine is CCc1nccn1-c1ncc(CNC)c2ccccc12.
What is the InChIKey of 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
The InChIKey is AYTLZGMZUTYPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-15-18-8-9-20(15)16-14-7-5-4-6-13(14)12(10-17-2)11-19-16/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine?
1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106777158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).