[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate

C24H23GaN2O4 — CID 140564050

IUPAC[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate
SMILESCC(=O)OC[Ga](COc1cccc2ccc(C)nc12)Oc1cccc2ccc(C)nc12
InChIInChI=1S/C11H10NO.C10H9NO.C3H5O2.Ga/c1-8-6-7-9-4-3-5-10(13-2)11(9)12-8;1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-3(4)5-2;/h3-7H,2H2,1H3;2-6,12H,1H3;2H2,1H3;/q;;;+1/p-1
InChIKeyNKGCMLISPRSTCC-UHFFFAOYSA-M
MW473.18 g/mol
LogP4.49
Rot. Bonds7

About [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate

[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate (PubChem CID 140564050) has the molecular formula C24H23GaN2O4 and a molecular weight of 473.18 g/mol. Its IUPAC name is [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate.

Molecular Properties

Compound Name[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate
PubChem CID140564050
Molecular FormulaC24H23GaN2O4
Molecular Weight473.18 g/mol
Exact Mass472.09
IUPAC Name[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate
SMILESCC(=O)OC[Ga](COc1cccc2ccc(C)nc12)Oc1cccc2ccc(C)nc12
InChIInChI=1S/C11H10NO.C10H9NO.C3H5O2.Ga/c1-8-6-7-9-4-3-5-10(13-2)11(9)12-8;1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-3(4)5-2;/h3-7H,2H2,1H3;2-6,12H,1H3;2H2,1H3;/q;;;+1/p-1
InChIKeyNKGCMLISPRSTCC-UHFFFAOYSA-M
XLogP4.49
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.18
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate with MolForge

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Related Compounds

1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
CID 20665518
CID 20665518
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
CID 63919233
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925

Frequently Asked Questions

What is the IUPAC name of [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate?
The IUPAC name of [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate (CID 140564050) is [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate.
What is the SMILES notation for [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate?
The canonical SMILES for [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate is CC(=O)OC[Ga](COc1cccc2ccc(C)nc12)Oc1cccc2ccc(C)nc12.
What is the InChIKey of [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate?
The InChIKey is NKGCMLISPRSTCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10NO.C10H9NO.C3H5O2.Ga/c1-8-6-7-9-4-3-5-10(13-2)11(9)12-8;1-7-5-6-8-3-2-4-9(12)10(8)11-7;1-3(4)5-2;/h3-7H,2H2,1H3;2-6,12H,1H3;2H2,1H3;/q;;;+1/p-1.
What are the key properties of [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate?
[(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate has a molecular weight of 473.18 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylquinolin-8-yl)oxy-[(2-methylquinolin-8-yl)oxymethyl]gallanyl]methyl acetate is sourced from PubChem (CID 140564050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).