1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide

C12H16I4N2O2Ti — CID 173115754

IUPAC1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide
SMILESCNC(C)O.Oc1cccc2cccnc12.[I-].[I-].[I-].[I-].[Ti+4]
InChIInChI=1S/C9H7NO.C3H9NO.4HI.Ti/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-3(5)4-2;;;;;/h1-6,11H;3-5H,1-2H3;4*1H;/q;;;;;;+4/p-4
InChIKeyDHHGKXTUBWIABP-UHFFFAOYSA-J
MW775.75 g/mol
LogP-10.50
Rot. Bonds1

About 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide

1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide (PubChem CID 173115754) has the molecular formula C12H16I4N2O2Ti and a molecular weight of 775.75 g/mol. Its IUPAC name is 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide.

Molecular Properties

Compound Name1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide
PubChem CID173115754
Molecular FormulaC12H16I4N2O2Ti
Molecular Weight775.75 g/mol
Exact Mass775.69
IUPAC Name1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide
SMILESCNC(C)O.Oc1cccc2cccnc12.[I-].[I-].[I-].[I-].[Ti+4]
InChIInChI=1S/C9H7NO.C3H9NO.4HI.Ti/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-3(5)4-2;;;;;/h1-6,11H;3-5H,1-2H3;4*1H;/q;;;;;;+4/p-4
InChIKeyDHHGKXTUBWIABP-UHFFFAOYSA-J
XLogP-10.50
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500775.75
LogP ≤ 5-10.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
zinc quinolin-8-ol
CID 22057723
CID 6381061
CID 6381061
CID 87330016
CID 87330016
dimethyltin;bis(quinolin-8-ol)
CID 50910182
CID 174914731
CID 174914731
cobalt;methanediamine;bis(quinolin-8-ol)
CID 87691611
CID 70016201
CID 70016201
oxozinc;quinolin-8-ol
CID 174943156
carbanide;platinum-195;platinum-195(2+);bis(quinolin-8-ol);hydrate
CID 59891554

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide?
The IUPAC name of 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide (CID 173115754) is 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide.
What is the SMILES notation for 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide?
The canonical SMILES for 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide is CNC(C)O.Oc1cccc2cccnc12.[I-].[I-].[I-].[I-].[Ti+4].
What is the InChIKey of 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide?
The InChIKey is DHHGKXTUBWIABP-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H7NO.C3H9NO.4HI.Ti/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-3(5)4-2;;;;;/h1-6,11H;3-5H,1-2H3;4*1H;/q;;;;;;+4/p-4.
What are the key properties of 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide?
1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide has a molecular weight of 775.75 g/mol, XLogP of -10.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide is sourced from PubChem (CID 173115754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).