N-ethyl-1-isoquinolin-5-ylimidazol-2-amine

C14H14N4 — CID 106562839

IUPACN-ethyl-1-isoquinolin-5-ylimidazol-2-amine
SMILESCCNc1nccn1-c1cccc2cnccc12
InChIInChI=1S/C14H14N4/c1-2-16-14-17-8-9-18(14)13-5-3-4-11-10-15-7-6-12(11)13/h3-10H,2H2,1H3,(H,16,17)
InChIKeyOYDPYOCDCHZGGR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.85
Rot. Bonds3

About N-ethyl-1-isoquinolin-5-ylimidazol-2-amine

N-ethyl-1-isoquinolin-5-ylimidazol-2-amine (PubChem CID 106562839) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-ethyl-1-isoquinolin-5-ylimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-isoquinolin-5-ylimidazol-2-amine
PubChem CID106562839
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-ethyl-1-isoquinolin-5-ylimidazol-2-amine
SMILESCCNc1nccn1-c1cccc2cnccc12
InChIInChI=1S/C14H14N4/c1-2-16-14-17-8-9-18(14)13-5-3-4-11-10-15-7-6-12(11)13/h3-10H,2H2,1H3,(H,16,17)
InChIKeyOYDPYOCDCHZGGR-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
CID 106579810
1-isoquinolin-8-ylimidazol-2-amine
CID 106577064
N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
CID 106562841
N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738794
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
N-ethyl-3-isoquinolin-8-ylpyrazin-2-amine
CID 103144319
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-isoquinolin-5-ylimidazol-2-amine?
The IUPAC name of N-ethyl-1-isoquinolin-5-ylimidazol-2-amine (CID 106562839) is N-ethyl-1-isoquinolin-5-ylimidazol-2-amine.
What is the SMILES notation for N-ethyl-1-isoquinolin-5-ylimidazol-2-amine?
The canonical SMILES for N-ethyl-1-isoquinolin-5-ylimidazol-2-amine is CCNc1nccn1-c1cccc2cnccc12.
What is the InChIKey of N-ethyl-1-isoquinolin-5-ylimidazol-2-amine?
The InChIKey is OYDPYOCDCHZGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-16-14-17-8-9-18(14)13-5-3-4-11-10-15-7-6-12(11)13/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-ethyl-1-isoquinolin-5-ylimidazol-2-amine?
N-ethyl-1-isoquinolin-5-ylimidazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-isoquinolin-5-ylimidazol-2-amine is sourced from PubChem (CID 106562839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).