(7-hydroxyquinolin-4-yl)-trimethylazanium

C12H15N2O+ — CID 174377892

IUPAC(7-hydroxyquinolin-4-yl)-trimethylazanium
SMILESC[N+](C)(C)c1ccnc2cc(O)ccc12
InChIInChI=1S/C12H14N2O/c1-14(2,3)12-6-7-13-11-8-9(15)4-5-10(11)12/h4-8H,1-3H3/p+1
InChIKeyLOWIHNZFBOVLFF-UHFFFAOYSA-O
MW203.26 g/mol
LogP2.14
Rot. Bonds1

About (7-hydroxyquinolin-4-yl)-trimethylazanium

(7-hydroxyquinolin-4-yl)-trimethylazanium (PubChem CID 174377892) has the molecular formula C12H15N2O+ and a molecular weight of 203.26 g/mol. Its IUPAC name is (7-hydroxyquinolin-4-yl)-trimethylazanium.

Molecular Properties

Compound Name(7-hydroxyquinolin-4-yl)-trimethylazanium
PubChem CID174377892
Molecular FormulaC12H15N2O+
Molecular Weight203.26 g/mol
Exact Mass203.12
IUPAC Name(7-hydroxyquinolin-4-yl)-trimethylazanium
SMILESC[N+](C)(C)c1ccnc2cc(O)ccc12
InChIInChI=1S/C12H14N2O/c1-14(2,3)12-6-7-13-11-8-9(15)4-5-10(11)12/h4-8H,1-3H3/p+1
InChIKeyLOWIHNZFBOVLFF-UHFFFAOYSA-O
XLogP2.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxyquinolin-4-yl)-trimethylazanium?
The IUPAC name of (7-hydroxyquinolin-4-yl)-trimethylazanium (CID 174377892) is (7-hydroxyquinolin-4-yl)-trimethylazanium.
What is the SMILES notation for (7-hydroxyquinolin-4-yl)-trimethylazanium?
The canonical SMILES for (7-hydroxyquinolin-4-yl)-trimethylazanium is C[N+](C)(C)c1ccnc2cc(O)ccc12.
What is the InChIKey of (7-hydroxyquinolin-4-yl)-trimethylazanium?
The InChIKey is LOWIHNZFBOVLFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N2O/c1-14(2,3)12-6-7-13-11-8-9(15)4-5-10(11)12/h4-8H,1-3H3/p+1.
What are the key properties of (7-hydroxyquinolin-4-yl)-trimethylazanium?
(7-hydroxyquinolin-4-yl)-trimethylazanium has a molecular weight of 203.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxyquinolin-4-yl)-trimethylazanium is sourced from PubChem (CID 174377892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).