[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol

C16H18N4O — CID 106768222

IUPAC[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol
SMILESCN(Cc1nccn1C)c1ncc(CO)c2ccccc12
InChIInChI=1S/C16H18N4O/c1-19-8-7-17-15(19)10-20(2)16-14-6-4-3-5-13(14)12(11-21)9-18-16/h3-9,21H,10-11H2,1-2H3
InChIKeyOMWPKOKBQMLPIO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.10
Rot. Bonds4

About [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol

[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol (PubChem CID 106768222) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol
PubChem CID106768222
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol
SMILESCN(Cc1nccn1C)c1ncc(CO)c2ccccc12
InChIInChI=1S/C16H18N4O/c1-19-8-7-17-15(19)10-20(2)16-14-6-4-3-5-13(14)12(11-21)9-18-16/h3-9,21H,10-11H2,1-2H3
InChIKeyOMWPKOKBQMLPIO-UHFFFAOYSA-N
XLogP2.10
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106769175
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
CID 106767996
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
CID 106768318
(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 63371947
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63015295
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220

Frequently Asked Questions

What is the IUPAC name of [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol (CID 106768222) is [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol is CN(Cc1nccn1C)c1ncc(CO)c2ccccc12.
What is the InChIKey of [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol?
The InChIKey is OMWPKOKBQMLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-8-7-17-15(19)10-20(2)16-14-6-4-3-5-13(14)12(11-21)9-18-16/h3-9,21H,10-11H2,1-2H3.
What are the key properties of [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol?
[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol has a molecular weight of 282.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).