(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C21H22ClN3O2S — CID 1004206

IUPAC(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1
InChIInChI=1S/C21H22ClN3O2S/c1-3-11-4-6-16-12(8-11)9-14-18(23)19(28-21(14)25-16)20(26)24-13-5-7-17(27-2)15(22)10-13/h5,7,9-11H,3-4,6,8,23H2,1-2H3,(H,24,26)/t11-/m1/s1
InChIKeyOSIMNZZFAKKFFJ-LLVKDONJSA-N
MW415.95 g/mol
LogP5.31
Rot. Bonds4

About (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1004206) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1004206
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1
InChIInChI=1S/C21H22ClN3O2S/c1-3-11-4-6-16-12(8-11)9-14-18(23)19(28-21(14)25-16)20(26)24-13-5-7-17(27-2)15(22)10-13/h5,7,9-11H,3-4,6,8,23H2,1-2H3,(H,24,26)/t11-/m1/s1
InChIKeyOSIMNZZFAKKFFJ-LLVKDONJSA-N
XLogP5.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4196604
3-amino-N-(3-chloro-4-methoxyphenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832692
[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
CID 1004292
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-N-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3154866
3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3790892
3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3418824
3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 6463985
(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-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23774841
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

Frequently Asked Questions

What is the IUPAC name of (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 1004206) is (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1.
What is the InChIKey of (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is OSIMNZZFAKKFFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-3-11-4-6-16-12(8-11)9-14-18(23)19(28-21(14)25-16)20(26)24-13-5-7-17(27-2)15(22)10-13/h5,7,9-11H,3-4,6,8,23H2,1-2H3,(H,24,26)/t11-/m1/s1.
What are the key properties of (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 415.95 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1004206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).