quinoline;titanium;hydrate

C9H9NOTi — CID 174714429

IUPACquinoline;titanium;hydrate
SMILESO.[Ti].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.H2O.Ti/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;1H2;
InChIKeyAMTKLNGQWWDHSH-UHFFFAOYSA-N
MW195.04 g/mol
LogP1.41
Rot. Bonds

About quinoline;titanium;hydrate

quinoline;titanium;hydrate (PubChem CID 174714429) has the molecular formula C9H9NOTi and a molecular weight of 195.04 g/mol. Its IUPAC name is quinoline;titanium;hydrate.

Molecular Properties

Compound Namequinoline;titanium;hydrate
PubChem CID174714429
Molecular FormulaC9H9NOTi
Molecular Weight195.04 g/mol
Exact Mass195.02
IUPAC Namequinoline;titanium;hydrate
SMILESO.[Ti].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.H2O.Ti/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;1H2;
InChIKeyAMTKLNGQWWDHSH-UHFFFAOYSA-N
XLogP1.41
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of quinoline;titanium;hydrate?
The IUPAC name of quinoline;titanium;hydrate (CID 174714429) is quinoline;titanium;hydrate.
What is the SMILES notation for quinoline;titanium;hydrate?
The canonical SMILES for quinoline;titanium;hydrate is O.[Ti].c1ccc2ncccc2c1.
What is the InChIKey of quinoline;titanium;hydrate?
The InChIKey is AMTKLNGQWWDHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.H2O.Ti/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;1H2;.
What are the key properties of quinoline;titanium;hydrate?
quinoline;titanium;hydrate has a molecular weight of 195.04 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;titanium;hydrate is sourced from PubChem (CID 174714429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).