1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol

C15H20N2O2 — CID 106541399

IUPAC1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
SMILESCC(C)N(CCCO)c1nccc2ccc(O)cc12
InChIInChI=1S/C15H20N2O2/c1-11(2)17(8-3-9-18)15-14-10-13(19)5-4-12(14)6-7-16-15/h4-7,10-11,18-19H,3,8-9H2,1-2H3
InChIKeyGZEYKHHJNODDKB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol

1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol (PubChem CID 106541399) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
PubChem CID106541399
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
SMILESCC(C)N(CCCO)c1nccc2ccc(O)cc12
InChIInChI=1S/C15H20N2O2/c1-11(2)17(8-3-9-18)15-14-10-13(19)5-4-12(14)6-7-16-15/h4-7,10-11,18-19H,3,8-9H2,1-2H3
InChIKeyGZEYKHHJNODDKB-UHFFFAOYSA-N
XLogP2.54
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-hydroxypropyl(methyl)amino]isoquinolin-7-ol
CID 114230704
1-[2-bromoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106542952
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106543352
2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol
CID 106541350
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
1-[2-aminoethyl(butyl)amino]isoquinolin-7-ol
CID 106542281
1-[2-bromoethyl(butyl)amino]isoquinolin-7-ol
CID 106542881
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106536534
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
2-[furo[3,2-c]pyridin-4-yl(propan-2-yl)amino]ethanol
CID 106535445
N'-hydroxy-3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanimidamide
CID 106537045

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol?
The IUPAC name of 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol (CID 106541399) is 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol?
The canonical SMILES for 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol is CC(C)N(CCCO)c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol?
The InChIKey is GZEYKHHJNODDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)17(8-3-9-18)15-14-10-13(19)5-4-12(14)6-7-16-15/h4-7,10-11,18-19H,3,8-9H2,1-2H3.
What are the key properties of 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol?
1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol has a molecular weight of 260.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol is sourced from PubChem (CID 106541399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).