chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane

C32H24ClGaN2O2 — CID 20617967

IUPACchloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2c(-c3ccccc3)ccc(O[Ga](Cl)Oc3ccc(-c4ccccc4)c4ccc(C)nc34)c2n1
InChIInChI=1S/2C16H13NO.ClH.Ga/c2*1-11-7-8-14-13(12-5-3-2-4-6-12)9-10-15(18)16(14)17-11;;/h2*2-10,18H,1H3;1H;/q;;;+3/p-3
InChIKeyHEIBUJUKMGYRAZ-UHFFFAOYSA-K
MW573.73 g/mol
LogP8.42
Rot. Bonds6

About chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane

chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane (PubChem CID 20617967) has the molecular formula C32H24ClGaN2O2 and a molecular weight of 573.73 g/mol. Its IUPAC name is chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane.

Molecular Properties

Compound Namechloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane
PubChem CID20617967
Molecular FormulaC32H24ClGaN2O2
Molecular Weight573.73 g/mol
Exact Mass572.08
IUPAC Namechloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane
SMILESCc1ccc2c(-c3ccccc3)ccc(O[Ga](Cl)Oc3ccc(-c4ccccc4)c4ccc(C)nc34)c2n1
InChIInChI=1S/2C16H13NO.ClH.Ga/c2*1-11-7-8-14-13(12-5-3-2-4-6-12)9-10-15(18)16(14)17-11;;/h2*2-10,18H,1H3;1H;/q;;;+3/p-3
InChIKeyHEIBUJUKMGYRAZ-UHFFFAOYSA-K
XLogP8.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.73
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cunilate
CID 56840841
Zinc bis(2-methylquinolin-8-olate)
CID 67132017
Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
CID 139173409
CID 168338853
CID 168338853
Tetrakis[(2-methylquinolin-8-yl)oxy]boranuide
CID 4362975
Aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
CID 23023294
Aluminum;4-(4-cyanophenyl)phenolate;bis(2-methyl-5-(trifluoromethyl)quinolin-8-olate)
CID 23135765

Frequently Asked Questions

What is the IUPAC name of chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane?
The IUPAC name of chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane (CID 20617967) is chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane.
What is the SMILES notation for chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane?
The canonical SMILES for chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane is Cc1ccc2c(-c3ccccc3)ccc(O[Ga](Cl)Oc3ccc(-c4ccccc4)c4ccc(C)nc34)c2n1.
What is the InChIKey of chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane?
The InChIKey is HEIBUJUKMGYRAZ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C16H13NO.ClH.Ga/c2*1-11-7-8-14-13(12-5-3-2-4-6-12)9-10-15(18)16(14)17-11;;/h2*2-10,18H,1H3;1H;/q;;;+3/p-3.
What are the key properties of chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane?
chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane has a molecular weight of 573.73 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane is sourced from PubChem (CID 20617967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).