[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone

C22H24N2O3S — CID 1004292

IUPAC[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
SMILESCC[C@@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1
InChIInChI=1S/C22H24N2O3S/c1-4-12-5-7-17-13(9-12)10-16-19(23)21(28-22(16)24-17)20(25)15-11-14(26-2)6-8-18(15)27-3/h6,8,10-12H,4-5,7,9,23H2,1-3H3/t12-/m1/s1
InChIKeyZRJQLWFGAJIOQI-GFCCVEGCSA-N
MW396.51 g/mol
LogP4.64
Rot. Bonds5

About [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone

[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone (PubChem CID 1004292) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
PubChem CID1004292
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
SMILESCC[C@@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1
InChIInChI=1S/C22H24N2O3S/c1-4-12-5-7-17-13(9-12)10-16-19(23)21(28-22(16)24-17)20(25)15-11-14(26-2)6-8-18(15)27-3/h6,8,10-12H,4-5,7,9,23H2,1-3H3/t12-/m1/s1
InChIKeyZRJQLWFGAJIOQI-GFCCVEGCSA-N
XLogP4.64
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone with MolForge

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Related Compounds

3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 5162276
3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 6463985
(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1004206
3-amino-6-ethyl-N-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3154866
3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4196604
3-amino-N-(2,5-dimethoxyphenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832789
(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1025352
(6R)-3-amino-6-ethyl-N-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1004264
3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3790892
(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23859661
(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23999169
6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275

Frequently Asked Questions

What is the IUPAC name of [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone (CID 1004292) is [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone is CC[C@@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1.
What is the InChIKey of [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone?
The InChIKey is ZRJQLWFGAJIOQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-12-5-7-17-13(9-12)10-16-19(23)21(28-22(16)24-17)20(25)15-11-14(26-2)6-8-18(15)27-3/h6,8,10-12H,4-5,7,9,23H2,1-3H3/t12-/m1/s1.
What are the key properties of [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone?
[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone has a molecular weight of 396.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 1004292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).