[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol

C22H19NO3 — CID 66602595

IUPAC[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol
SMILESCc1nc(-c2cccc(-c3ccoc3)c2)cc2cc(CO)c(CO)cc12
InChIInChI=1S/C22H19NO3/c1-14-21-9-20(12-25)19(11-24)8-18(21)10-22(23-14)16-4-2-3-15(7-16)17-5-6-26-13-17/h2-10,13,24-25H,11-12H2,1H3
InChIKeyUGZJPOSGHXFYAQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.45
Rot. Bonds4

About [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol

[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol (PubChem CID 66602595) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol.

Molecular Properties

Compound Name[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol
PubChem CID66602595
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol
SMILESCc1nc(-c2cccc(-c3ccoc3)c2)cc2cc(CO)c(CO)cc12
InChIInChI=1S/C22H19NO3/c1-14-21-9-20(12-25)19(11-24)8-18(21)10-22(23-14)16-4-2-3-15(7-16)17-5-6-26-13-17/h2-10,13,24-25H,11-12H2,1H3
InChIKeyUGZJPOSGHXFYAQ-UHFFFAOYSA-N
XLogP4.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol?
The IUPAC name of [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol (CID 66602595) is [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol.
What is the SMILES notation for [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol?
The canonical SMILES for [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol is Cc1nc(-c2cccc(-c3ccoc3)c2)cc2cc(CO)c(CO)cc12.
What is the InChIKey of [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol?
The InChIKey is UGZJPOSGHXFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-14-21-9-20(12-25)19(11-24)8-18(21)10-22(23-14)16-4-2-3-15(7-16)17-5-6-26-13-17/h2-10,13,24-25H,11-12H2,1H3.
What are the key properties of [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol?
[3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol has a molecular weight of 345.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(furan-3-yl)phenyl]-7-(hydroxymethyl)-1-methylisoquinolin-6-yl]methanol is sourced from PubChem (CID 66602595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).