hydron;isoquinolin-4-ol

C9H8NO+ — CID 174960329

IUPAChydron;isoquinolin-4-ol
SMILESOc1cncc2ccccc12.[H+]
InChIInChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H/p+1
InChIKeyDXTUTXYCHFWRQC-UHFFFAOYSA-O
MW146.17 g/mol
LogP2.05
Rot. Bonds

About hydron;isoquinolin-4-ol

hydron;isoquinolin-4-ol (PubChem CID 174960329) has the molecular formula C9H8NO+ and a molecular weight of 146.17 g/mol. Its IUPAC name is hydron;isoquinolin-4-ol.

Molecular Properties

Compound Namehydron;isoquinolin-4-ol
PubChem CID174960329
Molecular FormulaC9H8NO+
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Namehydron;isoquinolin-4-ol
SMILESOc1cncc2ccccc12.[H+]
InChIInChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H/p+1
InChIKeyDXTUTXYCHFWRQC-UHFFFAOYSA-O
XLogP2.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;isoquinolin-4-ol?
The IUPAC name of hydron;isoquinolin-4-ol (CID 174960329) is hydron;isoquinolin-4-ol.
What is the SMILES notation for hydron;isoquinolin-4-ol?
The canonical SMILES for hydron;isoquinolin-4-ol is Oc1cncc2ccccc12.[H+].
What is the InChIKey of hydron;isoquinolin-4-ol?
The InChIKey is DXTUTXYCHFWRQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H/p+1.
What are the key properties of hydron;isoquinolin-4-ol?
hydron;isoquinolin-4-ol has a molecular weight of 146.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;isoquinolin-4-ol is sourced from PubChem (CID 174960329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).