tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate

C15H16N2O3S — CID 819133

IUPACtert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cscc2-c2cccnc2[C@H]1O
InChIInChI=1S/C15H16N2O3S/c1-15(2,3)20-14(19)17-11-8-21-7-10(11)9-5-4-6-16-12(9)13(17)18/h4-8,13,18H,1-3H3/t13-/m1/s1
InChIKeyJCOYKPQFGPDJPY-CYBMUJFWSA-N
MW304.37 g/mol
LogP3.56
Rot. Bonds

About tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate

tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate (PubChem CID 819133) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate
PubChem CID819133
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nametert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cscc2-c2cccnc2[C@H]1O
InChIInChI=1S/C15H16N2O3S/c1-15(2,3)20-14(19)17-11-8-21-7-10(11)9-5-4-6-16-12(9)13(17)18/h4-8,13,18H,1-3H3/t13-/m1/s1
InChIKeyJCOYKPQFGPDJPY-CYBMUJFWSA-N
XLogP3.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate?
The IUPAC name of tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate (CID 819133) is tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate.
What is the SMILES notation for tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate?
The canonical SMILES for tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate is CC(C)(C)OC(=O)N1c2cscc2-c2cccnc2[C@H]1O.
What is the InChIKey of tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate?
The InChIKey is JCOYKPQFGPDJPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2,3)20-14(19)17-11-8-21-7-10(11)9-5-4-6-16-12(9)13(17)18/h4-8,13,18H,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate?
tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate is sourced from PubChem (CID 819133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).