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

C21H21N3O2S — CID 2015058

IUPAC3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3
InChIInChI=1S/C21H21N3O2S/c1-3-12-7-4-6-11(2)18(12)24-20(26)19-17(22)14-10-13-15(23-21(14)27-19)8-5-9-16(13)25/h4,6-7,10H,3,5,8-9,22H2,1-2H3,(H,24,26)
InChIKeyQLZOUXUYHFYOID-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.52
Rot. Bonds3

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

3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 2015058) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID2015058
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3
InChIInChI=1S/C21H21N3O2S/c1-3-12-7-4-6-11(2)18(12)24-20(26)19-17(22)14-10-13-15(23-21(14)27-19)8-5-9-16(13)25/h4,6-7,10H,3,5,8-9,22H2,1-2H3,(H,24,26)
InChIKeyQLZOUXUYHFYOID-UHFFFAOYSA-N
XLogP4.52
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
(3-Amino-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 2015058) is 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is CCc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3.
What is the InChIKey of 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is QLZOUXUYHFYOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-12-7-4-6-11(2)18(12)24-20(26)19-17(22)14-10-13-15(23-21(14)27-19)8-5-9-16(13)25/h4,6-7,10H,3,5,8-9,22H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.52, 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-ethyl-6-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 2015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).