(8-hydroxyisoquinolin-7-yl)methyl carbamate

C11H10N2O3 — CID 155345948

IUPAC(8-hydroxyisoquinolin-7-yl)methyl carbamate
SMILESNC(=O)OCc1ccc2ccncc2c1O
InChIInChI=1S/C11H10N2O3/c12-11(15)16-6-8-2-1-7-3-4-13-5-9(7)10(8)14/h1-5,14H,6H2,(H2,12,15)
InChIKeyCUUKJSVRBBOISB-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.54
Rot. Bonds2

About (8-hydroxyisoquinolin-7-yl)methyl carbamate

(8-hydroxyisoquinolin-7-yl)methyl carbamate (PubChem CID 155345948) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (8-hydroxyisoquinolin-7-yl)methyl carbamate.

Molecular Properties

Compound Name(8-hydroxyisoquinolin-7-yl)methyl carbamate
PubChem CID155345948
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(8-hydroxyisoquinolin-7-yl)methyl carbamate
SMILESNC(=O)OCc1ccc2ccncc2c1O
InChIInChI=1S/C11H10N2O3/c12-11(15)16-6-8-2-1-7-3-4-13-5-9(7)10(8)14/h1-5,14H,6H2,(H2,12,15)
InChIKeyCUUKJSVRBBOISB-UHFFFAOYSA-N
XLogP1.54
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-hydroxyisoquinolin-7-yl)methyl carbamate?
The IUPAC name of (8-hydroxyisoquinolin-7-yl)methyl carbamate (CID 155345948) is (8-hydroxyisoquinolin-7-yl)methyl carbamate.
What is the SMILES notation for (8-hydroxyisoquinolin-7-yl)methyl carbamate?
The canonical SMILES for (8-hydroxyisoquinolin-7-yl)methyl carbamate is NC(=O)OCc1ccc2ccncc2c1O.
What is the InChIKey of (8-hydroxyisoquinolin-7-yl)methyl carbamate?
The InChIKey is CUUKJSVRBBOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-11(15)16-6-8-2-1-7-3-4-13-5-9(7)10(8)14/h1-5,14H,6H2,(H2,12,15).
What are the key properties of (8-hydroxyisoquinolin-7-yl)methyl carbamate?
(8-hydroxyisoquinolin-7-yl)methyl carbamate has a molecular weight of 218.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxyisoquinolin-7-yl)methyl carbamate is sourced from PubChem (CID 155345948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).