ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate

C14H12N2O4S — CID 25179522

IUPACethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
SMILESCCOC(=O)[C@@]1(N)CSC2=C1C(=O)c1ncccc1C2=O
InChIInChI=1S/C14H12N2O4S/c1-2-20-13(19)14(15)6-21-12-8(14)11(18)9-7(10(12)17)4-3-5-16-9/h3-5H,2,6,15H2,1H3/t14-/m1/s1
InChIKeyFGBQTZJYNSERFX-CQSZACIVSA-N
MW304.33 g/mol
LogP0.72
Rot. Bonds2

About ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate

ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate (PubChem CID 25179522) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
PubChem CID25179522
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Nameethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
SMILESCCOC(=O)[C@@]1(N)CSC2=C1C(=O)c1ncccc1C2=O
InChIInChI=1S/C14H12N2O4S/c1-2-20-13(19)14(15)6-21-12-8(14)11(18)9-7(10(12)17)4-3-5-16-9/h3-5H,2,6,15H2,1H3/t14-/m1/s1
InChIKeyFGBQTZJYNSERFX-CQSZACIVSA-N
XLogP0.72
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
CID 121478354
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738
ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 44567523
ethyl 3-[3-(diethylamino)propanoylamino]-4,9-dioxo-2H-benzo[f][1]benzothiole-3-carboxylate
CID 53309686
ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
CID 14792995
ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
CID 11280197
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
ethyl 5-oxo-6-prop-2-enyl-7H-cyclopenta[b]pyridine-6-carboxylate
CID 146276960
ethyl 4,9-dioxo-3-[[(2S)-3-phenyl-2-(phenylcarbamothioylamino)propanoyl]amino]-2H-benzo[f][1]benzothiole-3-carboxylate
CID 11284713
ethyl 2-[4-(3-bromo-2-pyridinyl)-1,3-thiazol-5-yl]acetate
CID 59759767
4,7-phenanthroline-5,6-dione
CID 6764

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate?
The IUPAC name of ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate (CID 25179522) is ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate is CCOC(=O)[C@@]1(N)CSC2=C1C(=O)c1ncccc1C2=O.
What is the InChIKey of ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate?
The InChIKey is FGBQTZJYNSERFX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-2-20-13(19)14(15)6-21-12-8(14)11(18)9-7(10(12)17)4-3-5-16-9/h3-5H,2,6,15H2,1H3/t14-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate?
ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate is sourced from PubChem (CID 25179522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).