(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium

C12H14ClN2O+ — CID 87200187

IUPAC(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
SMILESC[N+](C)(C)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C12H13ClN2O/c1-15(2,3)10-7-9(13)8-5-4-6-14-11(8)12(10)16/h4-7H,1-3H3/p+1
InChIKeyGEVKRKRBNTXHOF-UHFFFAOYSA-O
MW237.71 g/mol
LogP2.79
Rot. Bonds1

About (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium

(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium (PubChem CID 87200187) has the molecular formula C12H14ClN2O+ and a molecular weight of 237.71 g/mol. Its IUPAC name is (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium.

Molecular Properties

Compound Name(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
PubChem CID87200187
Molecular FormulaC12H14ClN2O+
Molecular Weight237.71 g/mol
Exact Mass237.08
IUPAC Name(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
SMILESC[N+](C)(C)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C12H13ClN2O/c1-15(2,3)10-7-9(13)8-5-4-6-14-11(8)12(10)16/h4-7H,1-3H3/p+1
InChIKeyGEVKRKRBNTXHOF-UHFFFAOYSA-O
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 52.79
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 (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium?
The IUPAC name of (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium (CID 87200187) is (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium.
What is the SMILES notation for (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium?
The canonical SMILES for (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium is C[N+](C)(C)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium?
The InChIKey is GEVKRKRBNTXHOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13ClN2O/c1-15(2,3)10-7-9(13)8-5-4-6-14-11(8)12(10)16/h4-7H,1-3H3/p+1.
What are the key properties of (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium?
(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium has a molecular weight of 237.71 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium is sourced from PubChem (CID 87200187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).