1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine

C15H16N4 — CID 107975243

IUPAC1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1cn(C)cn1)c1cncc2ccccc12
InChIInChI=1S/C15H16N4/c1-16-15(14-9-19(2)10-18-14)13-8-17-7-11-5-3-4-6-12(11)13/h3-10,15-16H,1-2H3
InChIKeyIQXBBPDIYIDLHU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.28
Rot. Bonds3

About 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine

1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine (PubChem CID 107975243) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
PubChem CID107975243
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
SMILESCNC(c1cn(C)cn1)c1cncc2ccccc12
InChIInChI=1S/C15H16N4/c1-16-15(14-9-19(2)10-18-14)13-8-17-7-11-5-3-4-6-12(11)13/h3-10,15-16H,1-2H3
InChIKeyIQXBBPDIYIDLHU-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107973755
1-(3-ethyl-1-methylpyrazol-4-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 102812364
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(4,5-dibromothiophen-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856280
1-(3-bromo-2-methylphenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856144
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine (CID 107975243) is 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine is CNC(c1cn(C)cn1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
The InChIKey is IQXBBPDIYIDLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-16-15(14-9-19(2)10-18-14)13-8-17-7-11-5-3-4-6-12(11)13/h3-10,15-16H,1-2H3.
What are the key properties of 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine?
1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107975243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).