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

C22H25N3OS — CID 4196604

IUPAC3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(=O)Nc4ccc(C)c(C)c4)c(N)c3cc2C1
InChIInChI=1S/C22H25N3OS/c1-4-14-6-8-18-15(10-14)11-17-19(23)20(27-22(17)25-18)21(26)24-16-7-5-12(2)13(3)9-16/h5,7,9,11,14H,4,6,8,10,23H2,1-3H3,(H,24,26)
InChIKeyDYSWFUTVNPBVIX-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.26
Rot. Bonds3

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

3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 4196604) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID4196604
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(=O)Nc4ccc(C)c(C)c4)c(N)c3cc2C1
InChIInChI=1S/C22H25N3OS/c1-4-14-6-8-18-15(10-14)11-17-19(23)20(27-22(17)25-18)21(26)24-16-7-5-12(2)13(3)9-16/h5,7,9,11,14H,4,6,8,10,23H2,1-3H3,(H,24,26)
InChIKeyDYSWFUTVNPBVIX-UHFFFAOYSA-N
XLogP5.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6R)-3-amino-N-(3-chloro-4-methoxyphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1004206
(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-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3418824
3-amino-6-ethyl-N-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3154866
3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 6463985
3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 5162276
3-amino-N-[(2-chlorophenyl)methyl]-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3790892
[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
CID 1004292
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1023419
3-amino-N-(3-chloro-4-methoxyphenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832692
6-amino-N-(4-methyl-3-nitrophenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23888892

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 4196604) is 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCC1CCc2nc3sc(C(=O)Nc4ccc(C)c(C)c4)c(N)c3cc2C1.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DYSWFUTVNPBVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-4-14-6-8-18-15(10-14)11-17-19(23)20(27-22(17)25-18)21(26)24-16-7-5-12(2)13(3)9-16/h5,7,9,11,14H,4,6,8,10,23H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4196604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).