1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol

C15H18N2O2 — CID 106541564

IUPAC1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol
SMILESCC(O)C1CCN(c2nccc3ccc(O)cc23)C1
InChIInChI=1S/C15H18N2O2/c1-10(18)12-5-7-17(9-12)15-14-8-13(19)3-2-11(14)4-6-16-15/h2-4,6,8,10,12,18-19H,5,7,9H2,1H3
InChIKeyBGWHFOGJOOHIGM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds2

About 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol (PubChem CID 106541564) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol
PubChem CID106541564
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol
SMILESCC(O)C1CCN(c2nccc3ccc(O)cc23)C1
InChIInChI=1S/C15H18N2O2/c1-10(18)12-5-7-17(9-12)15-14-8-13(19)3-2-11(14)4-6-16-15/h2-4,6,8,10,12,18-19H,5,7,9H2,1H3
InChIKeyBGWHFOGJOOHIGM-UHFFFAOYSA-N
XLogP2.15
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol?
The IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol (CID 106541564) is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol is CC(O)C1CCN(c2nccc3ccc(O)cc23)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol?
The InChIKey is BGWHFOGJOOHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)12-5-7-17(9-12)15-14-8-13(19)3-2-11(14)4-6-16-15/h2-4,6,8,10,12,18-19H,5,7,9H2,1H3.
What are the key properties of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol?
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol has a molecular weight of 258.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol is sourced from PubChem (CID 106541564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).