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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-ethylpiperidin-1-yl)isoquinolin-7-ol
CID 106540925
1-(4-amino-3-methylpiperidin-1-yl)isoquinolin-7-ol
CID 106540894
1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol
CID 106540698
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
1-[4-(2-chloroethyl)piperazin-1-yl]isoquinolin-7-ol
CID 106542538
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 112627869
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
CID 115965646
1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol
CID 112629648
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
CID 129495606
1-[2-(bromomethyl)azepan-1-yl]isoquinolin-7-ol
CID 106543195

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).