1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one

C23H21N3O2S2 — CID 42887482

IUPAC1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCc4sccc4C3c3cccs3)ccc21
InChIInChI=1S/C23H21N3O2S2/c1-3-25-18-7-6-15(13-17(18)24-14(2)22(25)27)23(28)26-10-8-19-16(9-12-30-19)21(26)20-5-4-11-29-20/h4-7,9,11-13,21H,3,8,10H2,1-2H3
InChIKeyMTUFFATYIWHDCP-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.64
Rot. Bonds3

About 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one

1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one (PubChem CID 42887482) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one
PubChem CID42887482
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC Name1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N3CCc4sccc4C3c3cccs3)ccc21
InChIInChI=1S/C23H21N3O2S2/c1-3-25-18-7-6-15(13-17(18)24-14(2)22(25)27)23(28)26-10-8-19-16(9-12-30-19)21(26)20-5-4-11-29-20/h4-7,9,11-13,21H,3,8,10H2,1-2H3
InChIKeyMTUFFATYIWHDCP-UHFFFAOYSA-N
XLogP4.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one with MolForge

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Related Compounds

(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
(5-bromo-3-pyridinyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18125753
(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55440089
2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41041927
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41157463
1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55430116
1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 51931006
2-(3-methoxypropyl)-5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione
CID 46664819
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41012822

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one (CID 42887482) is 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one is CCn1c(=O)c(C)nc2cc(C(=O)N3CCc4sccc4C3c3cccs3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one?
The InChIKey is MTUFFATYIWHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-3-25-18-7-6-15(13-17(18)24-14(2)22(25)27)23(28)26-10-8-19-16(9-12-30-19)21(26)20-5-4-11-29-20/h4-7,9,11-13,21H,3,8,10H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one?
1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one has a molecular weight of 435.57 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)quinoxalin-2-one is sourced from PubChem (CID 42887482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).