[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol

C16H20N2O2 — CID 64599052

IUPAC[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
SMILESCOCC1CCN(c2nc(CO)cc3ccccc23)C1
InChIInChI=1S/C16H20N2O2/c1-20-11-12-6-7-18(9-12)16-15-5-3-2-4-13(15)8-14(10-19)17-16/h2-5,8,12,19H,6-7,9-11H2,1H3
InChIKeyHYECPMAFKUEZGG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds4

About [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol

[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol (PubChem CID 64599052) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
PubChem CID64599052
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
SMILESCOCC1CCN(c2nc(CO)cc3ccccc23)C1
InChIInChI=1S/C16H20N2O2/c1-20-11-12-6-7-18(9-12)16-15-5-3-2-4-13(15)8-14(10-19)17-16/h2-5,8,12,19H,6-7,9-11H2,1H3
InChIKeyHYECPMAFKUEZGG-UHFFFAOYSA-N
XLogP2.20
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-2-yl]methanol
CID 64598867
[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol
CID 63633971
[1-(3,4,5-trimethylpiperazin-1-yl)isoquinolin-3-yl]methanol
CID 114538878
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546
[1-(2-ethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 61254969
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 64597728
[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]methanol
CID 106588319
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
[1-(2,3,5-trimethylpiperidin-1-yl)isoquinolin-3-yl]methanol
CID 114594753
[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol
CID 61452226
3-(chloromethyl)-1-(4-propan-2-ylpiperidin-1-yl)isoquinoline
CID 103501472

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol (CID 64599052) is [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol is COCC1CCN(c2nc(CO)cc3ccccc23)C1.
What is the InChIKey of [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol?
The InChIKey is HYECPMAFKUEZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-11-12-6-7-18(9-12)16-15-5-3-2-4-13(15)8-14(10-19)17-16/h2-5,8,12,19H,6-7,9-11H2,1H3.
What are the key properties of [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol?
[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol is sourced from PubChem (CID 64599052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).