bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)

C24H24Cl2N2O4Ti — CID 139076092

IUPACbis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.[Ti+4]
InChIInChI=1S/2C9H6ClNO.2C3H7O.Ti/c2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;2*1-3(2)4;/h2*1-5,12H;2*3H,1-2H3;/q;;2*-1;+4/p-2
InChIKeyMSMCNINZNKYDJZ-UHFFFAOYSA-L
MW523.24 g/mol
LogP3.43
Rot. Bonds

About bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)

bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+) (PubChem CID 139076092) has the molecular formula C24H24Cl2N2O4Ti and a molecular weight of 523.24 g/mol. Its IUPAC name is bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+).

Molecular Properties

Compound Namebis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)
PubChem CID139076092
Molecular FormulaC24H24Cl2N2O4Ti
Molecular Weight523.24 g/mol
Exact Mass522.06
IUPAC Namebis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.[Ti+4]
InChIInChI=1S/2C9H6ClNO.2C3H7O.Ti/c2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;2*1-3(2)4;/h2*1-5,12H;2*3H,1-2H3;/q;;2*-1;+4/p-2
InChIKeyMSMCNINZNKYDJZ-UHFFFAOYSA-L
XLogP3.43
TPSA118.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cunilate
CID 56840841
5-Chloro-8-[4-(4-chloro-benzyl)-morpholin-2-ylmethoxy]-quinoline
CID 11750030
Bis(4-chlorophenyl)-(5-chloroquinolin-8-yl)oxyborane
CID 10273116
1,1-Bis-[(5-chloro-8-quinolyl)oxy]methane
CID 25267859
5-Chloro-8-((dihydroxybismuthino)oxy)quinoline
CID 16684582
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
Bis(3-chlorophenyl)-(5-chloroquinolin-8-yl)oxyborane
CID 9909609
Aluminum tris(5,7-dichloroquinolin-8-olate)
CID 22660347
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
5-Chloroquinolin-8-ol; quinolin-8-ol
CID 476211
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728

Frequently Asked Questions

What is the IUPAC name of bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)?
The IUPAC name of bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+) (CID 139076092) is bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+).
What is the SMILES notation for bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)?
The canonical SMILES for bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.[Ti+4].
What is the InChIKey of bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)?
The InChIKey is MSMCNINZNKYDJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H6ClNO.2C3H7O.Ti/c2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;2*1-3(2)4;/h2*1-5,12H;2*3H,1-2H3;/q;;2*-1;+4/p-2.
What are the key properties of bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+)?
bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+) has a molecular weight of 523.24 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloroquinolin-8-olate);bis(propan-2-olate);titanium(4+) is sourced from PubChem (CID 139076092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).