ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate

C19H19NO3S2 — CID 7118487

IUPACethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H19NO3S2/c1-3-23-19(22)17-10(2)14-16(13-8-5-9-24-13)15-11(20-18(14)25-17)6-4-7-12(15)21/h5,8-9,16,20H,3-4,6-7H2,1-2H3/t16-/m0/s1
InChIKeyNCNQERAVTUEKHJ-INIZCTEOSA-N
MW373.50 g/mol
LogP4.86
Rot. Bonds3

About ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate

ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate (PubChem CID 7118487) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate
PubChem CID7118487
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Nameethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H19NO3S2/c1-3-23-19(22)17-10(2)14-16(13-8-5-9-24-13)15-11(20-18(14)25-17)6-4-7-12(15)21/h5,8-9,16,20H,3-4,6-7H2,1-2H3/t16-/m0/s1
InChIKeyNCNQERAVTUEKHJ-INIZCTEOSA-N
XLogP4.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-ethylsulfanylethyl 2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 560768
(4R)-3-methyl-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135950593
(4S)-4-thiophen-2-yl-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 42548388
ethyl (4R,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1158423
(9S)-6,8-dimethoxy-9-thiophen-2-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27881418
ethyl (4S)-4-(5-ethylthiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 679418
(4R)-3-(4-methylphenyl)-4-thiophen-2-yl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 136833708
ethyl 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2763934
ethyl 2-methyl-5-oxo-4-(5-phenylthiophen-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51057318
ethyl (4R)-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721479
ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3146835
(5S)-2-methylsulfanyl-5-thiophen-2-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135813242

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate (CID 7118487) is ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)C1=C(CCCC1=O)N2.
What is the InChIKey of ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is NCNQERAVTUEKHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-3-23-19(22)17-10(2)14-16(13-8-5-9-24-13)15-11(20-18(14)25-17)6-4-7-12(15)21/h5,8-9,16,20H,3-4,6-7H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate?
ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-3-methyl-5-oxo-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 7118487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).