2-[(E)-hydroxyiminomethyl]quinolin-8-ol

C10H8N2O2 — CID 135439621

IUPAC2-[(E)-hydroxyiminomethyl]quinolin-8-ol
SMILESO/N=C/c1ccc2cccc(O)c2n1
InChIInChI=1S/C10H8N2O2/c13-9-3-1-2-7-4-5-8(6-11-14)12-10(7)9/h1-6,13-14H/b11-6+
InChIKeyQTVCYMRHAGWXMB-IZZDOVSWSA-N
MW188.19 g/mol
LogP1.75
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]quinolin-8-ol

2-[(E)-hydroxyiminomethyl]quinolin-8-ol (PubChem CID 135439621) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]quinolin-8-ol
PubChem CID135439621
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-[(E)-hydroxyiminomethyl]quinolin-8-ol
SMILESO/N=C/c1ccc2cccc(O)c2n1
InChIInChI=1S/C10H8N2O2/c13-9-3-1-2-7-4-5-8(6-11-14)12-10(7)9/h1-6,13-14H/b11-6+
InChIKeyQTVCYMRHAGWXMB-IZZDOVSWSA-N
XLogP1.75
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]quinolin-8-ol (CID 135439621) is 2-[(E)-hydroxyiminomethyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]quinolin-8-ol is O/N=C/c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]quinolin-8-ol?
The InChIKey is QTVCYMRHAGWXMB-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-3-1-2-7-4-5-8(6-11-14)12-10(7)9/h1-6,13-14H/b11-6+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]quinolin-8-ol?
2-[(E)-hydroxyiminomethyl]quinolin-8-ol has a molecular weight of 188.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]quinolin-8-ol is sourced from PubChem (CID 135439621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).