1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol

C14H18N2O3 — CID 106541431

IUPAC1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol
SMILESCOCC(O)CN(C)c1nccc2ccc(O)cc12
InChIInChI=1S/C14H18N2O3/c1-16(8-12(18)9-19-2)14-13-7-11(17)4-3-10(13)5-6-15-14/h3-7,12,17-18H,8-9H2,1-2H3
InChIKeyUENHTMLLMVJZJD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds5

About 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol

1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol (PubChem CID 106541431) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol
PubChem CID106541431
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol
SMILESCOCC(O)CN(C)c1nccc2ccc(O)cc12
InChIInChI=1S/C14H18N2O3/c1-16(8-12(18)9-19-2)14-13-7-11(17)4-3-10(13)5-6-15-14/h3-7,12,17-18H,8-9H2,1-2H3
InChIKeyUENHTMLLMVJZJD-UHFFFAOYSA-N
XLogP1.38
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol (CID 106541431) is 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol is COCC(O)CN(C)c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol?
The InChIKey is UENHTMLLMVJZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(8-12(18)9-19-2)14-13-7-11(17)4-3-10(13)5-6-15-14/h3-7,12,17-18H,8-9H2,1-2H3.
What are the key properties of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol?
1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol has a molecular weight of 262.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106541431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).