3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C21H21N3O2S — CID 1282620

IUPAC3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(C)c1
InChIInChI=1S/C21H21N3O2S/c1-10-7-11(2)18(12(3)8-10)24-20(26)19-17(22)14-9-13-15(23-21(14)27-19)5-4-6-16(13)25/h7-9H,4-6,22H2,1-3H3,(H,24,26)
InChIKeySKOSNNUKRBUZHB-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.58
Rot. Bonds2

About 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1282620) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID1282620
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(C)c1
InChIInChI=1S/C21H21N3O2S/c1-10-7-11(2)18(12(3)8-10)24-20(26)19-17(22)14-9-13-15(23-21(14)27-19)5-4-6-16(13)25/h7-9H,4-6,22H2,1-3H3,(H,24,26)
InChIKeySKOSNNUKRBUZHB-UHFFFAOYSA-N
XLogP4.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 1282620) is 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is Cc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(C)c1.
What is the InChIKey of 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is SKOSNNUKRBUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-10-7-11(2)18(12(3)8-10)24-20(26)19-17(22)14-9-13-15(23-21(14)27-19)5-4-6-16(13)25/h7-9H,4-6,22H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-oxo-N-(2,4,6-trimethylphenyl)-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1282620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).