3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide

C22H21N3O3S — CID 1146714

IUPAC3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2cc3c(N)c(C(=O)Nc4cc(C)ccc4OC)sc3nc2c1
InChIInChI=1S/C22H21N3O3S/c1-4-28-14-7-6-13-10-15-19(23)20(29-22(15)25-16(13)11-14)21(26)24-17-9-12(2)5-8-18(17)27-3/h5-11H,4,23H2,1-3H3,(H,24,26)
InChIKeyWSERIYOYFPWYOO-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.00
Rot. Bonds5

About 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide

3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1146714) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID1146714
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2cc3c(N)c(C(=O)Nc4cc(C)ccc4OC)sc3nc2c1
InChIInChI=1S/C22H21N3O3S/c1-4-28-14-7-6-13-10-15-19(23)20(29-22(15)25-16(13)11-14)21(26)24-17-9-12(2)5-8-18(17)27-3/h5-11H,4,23H2,1-3H3,(H,24,26)
InChIKeyWSERIYOYFPWYOO-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
CID 3231267
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[[3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-methoxybenzoate
CID 87047649
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-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
CID 43812112
ethyl (12R)-6-amino-5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-12-carboxylate
CID 42486062

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide (CID 1146714) is 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide is CCOc1ccc2cc3c(N)c(C(=O)Nc4cc(C)ccc4OC)sc3nc2c1.
What is the InChIKey of 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is WSERIYOYFPWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-4-28-14-7-6-13-10-15-19(23)20(29-22(15)25-16(13)11-14)21(26)24-17-9-12(2)5-8-18(17)27-3/h5-11H,4,23H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide?
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1146714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).