3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C20H19N3O2S — CID 1388734

IUPAC3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3
InChIInChI=1S/C20H19N3O2S/c1-2-11-6-3-4-7-14(11)22-19(25)18-17(21)13-10-12-15(23-20(13)26-18)8-5-9-16(12)24/h3-4,6-7,10H,2,5,8-9,21H2,1H3,(H,22,25)
InChIKeyYYSHBWVNTGSRGY-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.21
Rot. Bonds3

About 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1388734) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID1388734
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3
InChIInChI=1S/C20H19N3O2S/c1-2-11-6-3-4-7-14(11)22-19(25)18-17(21)13-10-12-15(23-20(13)26-18)8-5-9-16(12)24/h3-4,6-7,10H,2,5,8-9,21H2,1H3,(H,22,25)
InChIKeyYYSHBWVNTGSRGY-UHFFFAOYSA-N
XLogP4.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 1388734) is 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3.
What is the InChIKey of 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is YYSHBWVNTGSRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-11-6-3-4-7-14(11)22-19(25)18-17(21)13-10-12-15(23-20(13)26-18)8-5-9-16(12)24/h3-4,6-7,10H,2,5,8-9,21H2,1H3,(H,22,25).
What are the key properties of 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1388734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).