(8-hydroxyquinolin-3-yl)methyl-trimethylazanium

C13H17N2O+ — CID 19598448

IUPAC(8-hydroxyquinolin-3-yl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1cnc2c(O)cccc2c1
InChIInChI=1S/C13H16N2O/c1-15(2,3)9-10-7-11-5-4-6-12(16)13(11)14-8-10/h4-8H,9H2,1-3H3/p+1
InChIKeyWRGRMRVQPQKIQW-UHFFFAOYSA-O
MW217.29 g/mol
LogP2.15
Rot. Bonds2

About (8-hydroxyquinolin-3-yl)methyl-trimethylazanium

(8-hydroxyquinolin-3-yl)methyl-trimethylazanium (PubChem CID 19598448) has the molecular formula C13H17N2O+ and a molecular weight of 217.29 g/mol. Its IUPAC name is (8-hydroxyquinolin-3-yl)methyl-trimethylazanium.

Molecular Properties

Compound Name(8-hydroxyquinolin-3-yl)methyl-trimethylazanium
PubChem CID19598448
Molecular FormulaC13H17N2O+
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name(8-hydroxyquinolin-3-yl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1cnc2c(O)cccc2c1
InChIInChI=1S/C13H16N2O/c1-15(2,3)9-10-7-11-5-4-6-12(16)13(11)14-8-10/h4-8H,9H2,1-3H3/p+1
InChIKeyWRGRMRVQPQKIQW-UHFFFAOYSA-O
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.15
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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Related Compounds

ethane;3-methylquinolin-8-ol
CID 143422090
3-(4-methylphenyl)quinolin-8-ol
CID 134530659
3-[(E)-2-(4-methylphenyl)ethenyl]quinolin-8-ol
CID 134530665
8-hydroxyquinoline-3-carbonitrile
CID 82653167
N-methyl-1-(8-propan-2-ylquinolin-3-yl)methanamine
CID 82241794
methanol;quinolin-8-ol
CID 161490698
(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium
CID 90780191
N-(8-hydroxyquinolin-3-yl)-4-methylbenzenesulfonamide
CID 22674101
3-ethyl-8-nitroquinoline
CID 119082070
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
6-butylquinolin-8-ol
CID 130033187

Frequently Asked Questions

What is the IUPAC name of (8-hydroxyquinolin-3-yl)methyl-trimethylazanium?
The IUPAC name of (8-hydroxyquinolin-3-yl)methyl-trimethylazanium (CID 19598448) is (8-hydroxyquinolin-3-yl)methyl-trimethylazanium.
What is the SMILES notation for (8-hydroxyquinolin-3-yl)methyl-trimethylazanium?
The canonical SMILES for (8-hydroxyquinolin-3-yl)methyl-trimethylazanium is C[N+](C)(C)Cc1cnc2c(O)cccc2c1.
What is the InChIKey of (8-hydroxyquinolin-3-yl)methyl-trimethylazanium?
The InChIKey is WRGRMRVQPQKIQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16N2O/c1-15(2,3)9-10-7-11-5-4-6-12(16)13(11)14-8-10/h4-8H,9H2,1-3H3/p+1.
What are the key properties of (8-hydroxyquinolin-3-yl)methyl-trimethylazanium?
(8-hydroxyquinolin-3-yl)methyl-trimethylazanium has a molecular weight of 217.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxyquinolin-3-yl)methyl-trimethylazanium is sourced from PubChem (CID 19598448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).