[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate

C22H18N2O4Sn — CID 139238801

IUPAC[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
SMILESC[Sn](C)(OC(=O)c1ccc2ccccc2n1)OC(=O)c1ccc2ccccc2n1
InChIInChI=1S/2C10H7NO2.2CH3.Sn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;;;/h2*1-6H,(H,12,13);2*1H3;/q;;;;+2/p-2
InChIKeyBHGVUWUYUJHQDU-UHFFFAOYSA-L
MW493.11 g/mol
LogP4.50
Rot. Bonds4

About [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate

[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate (PubChem CID 139238801) has the molecular formula C22H18N2O4Sn and a molecular weight of 493.11 g/mol. Its IUPAC name is [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
PubChem CID139238801
Molecular FormulaC22H18N2O4Sn
Molecular Weight493.11 g/mol
Exact Mass494.03
IUPAC Name[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
SMILESC[Sn](C)(OC(=O)c1ccc2ccccc2n1)OC(=O)c1ccc2ccccc2n1
InChIInChI=1S/2C10H7NO2.2CH3.Sn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;;;/h2*1-6H,(H,12,13);2*1H3;/q;;;;+2/p-2
InChIKeyBHGVUWUYUJHQDU-UHFFFAOYSA-L
XLogP4.50
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.11
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

but-3-yn-2-yl quinoline-2-carboxylate
CID 71987794
2-ethylbutanoyl quinoline-2-carboxylate
CID 18335639
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895
(2,4,6-trimethylbenzoyl) quinoline-2-carboxylate
CID 18335638
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
copper(1+);quinoline-2-carboxylate
CID 159046158
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
quinoline-2-carboxamide;hydrobromide
CID 141009871

Frequently Asked Questions

What is the IUPAC name of [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate?
The IUPAC name of [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate (CID 139238801) is [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate.
What is the SMILES notation for [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate?
The canonical SMILES for [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate is C[Sn](C)(OC(=O)c1ccc2ccccc2n1)OC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate?
The InChIKey is BHGVUWUYUJHQDU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO2.2CH3.Sn/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;;;/h2*1-6H,(H,12,13);2*1H3;/q;;;;+2/p-2.
What are the key properties of [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate?
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate has a molecular weight of 493.11 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate is sourced from PubChem (CID 139238801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).