[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine

C15H16N4 — CID 106777160

IUPAC[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine
SMILESCc1ncn(-c2ncc(CN)c3ccccc23)c1C
InChIInChI=1S/C15H16N4/c1-10-11(2)19(9-18-10)15-14-6-4-3-5-13(14)12(7-16)8-17-15/h3-6,8-9H,7,16H2,1-2H3
InChIKeyRNJKIRYCNPXVAM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.50
Rot. Bonds2

About [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine

[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine (PubChem CID 106777160) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine
PubChem CID106777160
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine
SMILESCc1ncn(-c2ncc(CN)c3ccccc23)c1C
InChIInChI=1S/C15H16N4/c1-10-11(2)19(9-18-10)15-14-6-4-3-5-13(14)12(7-16)8-17-15/h3-6,8-9H,7,16H2,1-2H3
InChIKeyRNJKIRYCNPXVAM-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine (CID 106777160) is [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine is Cc1ncn(-c2ncc(CN)c3ccccc23)c1C.
What is the InChIKey of [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine?
The InChIKey is RNJKIRYCNPXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-11(2)19(9-18-10)15-14-6-4-3-5-13(14)12(7-16)8-17-15/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine?
[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).