6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine

C17H18N4 — CID 166954727

IUPAC6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine
SMILESC/C=C/Nc1cc2cc(-c3cnc(C)n3C)ccc2cn1
InChIInChI=1S/C17H18N4/c1-4-7-18-17-9-15-8-13(5-6-14(15)10-20-17)16-11-19-12(2)21(16)3/h4-11H,1-3H3,(H,18,20)/b7-4+
InChIKeyFNDOAXYHMIJGAE-QPJJXVBHSA-N
MW278.36 g/mol
LogP3.89
Rot. Bonds3

About 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine

6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine (PubChem CID 166954727) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine.

Molecular Properties

Compound Name6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine
PubChem CID166954727
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine
SMILESC/C=C/Nc1cc2cc(-c3cnc(C)n3C)ccc2cn1
InChIInChI=1S/C17H18N4/c1-4-7-18-17-9-15-8-13(5-6-14(15)10-20-17)16-11-19-12(2)21(16)3/h4-11H,1-3H3,(H,18,20)/b7-4+
InChIKeyFNDOAXYHMIJGAE-QPJJXVBHSA-N
XLogP3.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 142562922
CID 142562922
N-[1-(1-cyclopropyl-4-fluoropiperidin-4-yl)ethenyl]-6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-amine
CID 166954397
N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-7-pyrrolidin-1-yl-2H-azepine-5-carboxamide
CID 166787117
6-(2,3-dimethylimidazol-4-yl)-N-[1-[4-fluoro-1-(4-methylpentyl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954745
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(2-methylpropyl)pyrazol-4-yl]isoquinolin-3-amine
CID 134266284
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 73388688
6-(2,3-dimethylimidazol-4-yl)-N-[1-[2-(piperidin-4-ylmethyl)-4-pyridinyl]ethenyl]isoquinolin-3-amine
CID 166786868
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161237811
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]ethanone
CID 152873123
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]isoquinolin-3-amine
CID 73388432
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
CID 147459817
methyl 2-[4-[2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]acetyl]piperidin-1-yl]acetate
CID 147776305

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine?
The IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine (CID 166954727) is 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine.
What is the SMILES notation for 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine?
The canonical SMILES for 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine is C/C=C/Nc1cc2cc(-c3cnc(C)n3C)ccc2cn1.
What is the InChIKey of 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine?
The InChIKey is FNDOAXYHMIJGAE-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H18N4/c1-4-7-18-17-9-15-8-13(5-6-14(15)10-20-17)16-11-19-12(2)21(16)3/h4-11H,1-3H3,(H,18,20)/b7-4+.
What are the key properties of 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine?
6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine is sourced from PubChem (CID 166954727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).