1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione

C16H19N3O2Sn — CID 177017422

IUPAC1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione
SMILESC[Sn](C)(C)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C13H10N3O2.3CH3.Sn/c17-12-5-6-16(13(18)15-12)10-7-9-3-1-2-4-11(9)14-8-10;;;;/h2-4,7-8H,5-6H2,(H,15,17,18);3*1H3;
InChIKeyGOCZNFWCNPOELU-UHFFFAOYSA-N
MW404.06 g/mol
LogP2.23
Rot. Bonds2

About 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione

1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 177017422) has the molecular formula C16H19N3O2Sn and a molecular weight of 404.06 g/mol. Its IUPAC name is 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione
PubChem CID177017422
Molecular FormulaC16H19N3O2Sn
Molecular Weight404.06 g/mol
Exact Mass405.05
IUPAC Name1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione
SMILESC[Sn](C)(C)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1
InChIInChI=1S/C13H10N3O2.3CH3.Sn/c17-12-5-6-16(13(18)15-12)10-7-9-3-1-2-4-11(9)14-8-10;;;;/h2-4,7-8H,5-6H2,(H,15,17,18);3*1H3;
InChIKeyGOCZNFWCNPOELU-UHFFFAOYSA-N
XLogP2.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.06
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione
CID 177017318
1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177016228
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
CID 163231131
1-(2-amino-4-pyridinyl)-1,3-diazinane-2,4-dione
CID 166552762
1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
CID 168752423
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
CID 177010511
1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 153312448
1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
CID 168870495
1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 153312432
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 142487374

Frequently Asked Questions

What is the IUPAC name of 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione (CID 177017422) is 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione is C[Sn](C)(C)c1ccc2ncc(N3CCC(=O)NC3=O)cc2c1.
What is the InChIKey of 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is GOCZNFWCNPOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3O2.3CH3.Sn/c17-12-5-6-16(13(18)15-12)10-7-9-3-1-2-4-11(9)14-8-10;;;;/h2-4,7-8H,5-6H2,(H,15,17,18);3*1H3;.
What are the key properties of 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione?
1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 404.06 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-trimethylstannylquinolin-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177017422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).