ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

C18H24N2O2S — CID 839012

IUPACethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3
InChIInChI=1S/C18H24N2O2S/c1-5-22-17(21)15-14(19)12-9-10-8-11(18(2,3)4)6-7-13(10)20-16(12)23-15/h9,11H,5-8,19H2,1-4H3/t11-/m1/s1
InChIKeyUZGCAMIQNKEMFP-LLVKDONJSA-N
MW332.47 g/mol
LogP4.21
Rot. Bonds2

About ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (PubChem CID 839012) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
PubChem CID839012
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Nameethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3
InChIInChI=1S/C18H24N2O2S/c1-5-22-17(21)15-14(19)12-9-10-8-11(18(2,3)4)6-7-13(10)20-16(12)23-15/h9,11H,5-8,19H2,1-4H3/t11-/m1/s1
InChIKeyUZGCAMIQNKEMFP-LLVKDONJSA-N
XLogP4.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CID 839012) is ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3.
What is the InChIKey of ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is UZGCAMIQNKEMFP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-22-17(21)15-14(19)12-9-10-8-11(18(2,3)4)6-7-13(10)20-16(12)23-15/h9,11H,5-8,19H2,1-4H3/t11-/m1/s1.
What are the key properties of ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 332.47 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 839012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).