methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate

C24H37NO3Sn — CID 170992828

IUPACmethyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc2c(OC)cc(C(=O)OC)cc2c1
InChIInChI=1S/C12H10NO3.3C4H9.Sn/c1-15-10-7-9(12(14)16-2)6-8-4-3-5-13-11(8)10;3*1-3-4-2;/h4-7H,1-2H3;3*1,3-4H2,2H3;
InChIKeyDCGYGSSCVNYLPL-UHFFFAOYSA-N
MW506.28 g/mol
LogP6.09
Rot. Bonds12

About methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate

methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate (PubChem CID 170992828) has the molecular formula C24H37NO3Sn and a molecular weight of 506.28 g/mol. Its IUPAC name is methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
PubChem CID170992828
Molecular FormulaC24H37NO3Sn
Molecular Weight506.28 g/mol
Exact Mass507.18
IUPAC Namemethyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc2c(OC)cc(C(=O)OC)cc2c1
InChIInChI=1S/C12H10NO3.3C4H9.Sn/c1-15-10-7-9(12(14)16-2)6-8-4-3-5-13-11(8)10;3*1-3-4-2;/h4-7H,1-2H3;3*1,3-4H2,2H3;
InChIKeyDCGYGSSCVNYLPL-UHFFFAOYSA-N
XLogP6.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.28
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
methyl 3-fluoro-8-methoxycinnoline-6-carboxylate
CID 156872839
methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967
[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate
CID 16683185
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 3-ethyl-7-methoxybenzimidazole-5-carboxylate
CID 66649571
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 2-butyl-6-chloropyridine-4-carboxylate
CID 174747407

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate?
The IUPAC name of methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate (CID 170992828) is methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate.
What is the SMILES notation for methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate?
The canonical SMILES for methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate is CCCC[Sn](CCCC)(CCCC)c1cnc2c(OC)cc(C(=O)OC)cc2c1.
What is the InChIKey of methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate?
The InChIKey is DCGYGSSCVNYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO3.3C4H9.Sn/c1-15-10-7-9(12(14)16-2)6-8-4-3-5-13-11(8)10;3*1-3-4-2;/h4-7H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate?
methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate has a molecular weight of 506.28 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate is sourced from PubChem (CID 170992828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).