3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide

C22H21N3O3S — CID 3231267

IUPAC3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1cccc2cc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3nc12
InChIInChI=1S/C22H21N3O3S/c1-4-12-6-5-7-13-10-15-18(23)20(29-22(15)25-19(12)13)21(26)24-16-11-14(27-2)8-9-17(16)28-3/h5-11H,4,23H2,1-3H3,(H,24,26)
InChIKeyFKWOCINUZKIUSK-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.86
Rot. Bonds5

About 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3231267) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID3231267
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1cccc2cc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3nc12
InChIInChI=1S/C22H21N3O3S/c1-4-12-6-5-7-13-10-15-18(23)20(29-22(15)25-19(12)13)21(26)24-16-11-14(27-2)8-9-17(16)28-3/h5-11H,4,23H2,1-3H3,(H,24,26)
InChIKeyFKWOCINUZKIUSK-UHFFFAOYSA-N
XLogP4.86
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-N-(2,5-dimethoxyphenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832789
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
CID 43812112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide (CID 3231267) is 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide is CCc1cccc2cc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3nc12.
What is the InChIKey of 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is FKWOCINUZKIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-4-12-6-5-7-13-10-15-18(23)20(29-22(15)25-19(12)13)21(26)24-16-11-14(27-2)8-9-17(16)28-3/h5-11H,4,23H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3231267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).