isoquinolin-4-ol

C9H7NO — CID 18750

IUPACisoquinolin-4-ol
SMILESOc1cncc2ccccc12
InChIInChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H
InChIKeyDXTUTXYCHFWRQC-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.94
Rot. Bonds

About isoquinolin-4-ol

isoquinolin-4-ol (PubChem CID 18750) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is isoquinolin-4-ol.

Molecular Properties

Compound Nameisoquinolin-4-ol
PubChem CID18750
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Nameisoquinolin-4-ol
SMILESOc1cncc2ccccc12
InChIInChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H
InChIKeyDXTUTXYCHFWRQC-UHFFFAOYSA-N
XLogP1.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-ol?
The IUPAC name of isoquinolin-4-ol (CID 18750) is isoquinolin-4-ol.
What is the SMILES notation for isoquinolin-4-ol?
The canonical SMILES for isoquinolin-4-ol is Oc1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-ol?
The InChIKey is DXTUTXYCHFWRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H.
What are the key properties of isoquinolin-4-ol?
isoquinolin-4-ol has a molecular weight of 145.16 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-ol is sourced from PubChem (CID 18750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).