ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate

C14H12N2O3S — CID 11369716

IUPACethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C14H12N2O3S/c1-2-19-14(18)12-10(15)9-11(20-12)7-5-3-4-6-8(7)16-13(9)17/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyHMJUGQQHVXVHHS-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.50
Rot. Bonds2

About ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate

ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate (PubChem CID 11369716) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
PubChem CID11369716
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Nameethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2c(c1N)c(=O)[nH]c1ccccc12
InChIInChI=1S/C14H12N2O3S/c1-2-19-14(18)12-10(15)9-11(20-12)7-5-3-4-6-8(7)16-13(9)17/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyHMJUGQQHVXVHHS-UHFFFAOYSA-N
XLogP2.50
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-(butylamino)thieno[3,2-c]quinoline-2-carboxylate
CID 11163711
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 3-amino-6,7-difluoro-1-benzothiophene-2-carboxylate
CID 116646152
ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514652
methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate
CID 10634802
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 5-methyl-4-oxo-2-phenyl-3H-thieno[3,4-d]pyrimidine-7-carboxylate
CID 135495590
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate (CID 11369716) is ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate is CCOC(=O)c1sc2c(c1N)c(=O)[nH]c1ccccc12.
What is the InChIKey of ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is HMJUGQQHVXVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-2-19-14(18)12-10(15)9-11(20-12)7-5-3-4-6-8(7)16-13(9)17/h3-6H,2,15H2,1H3,(H,16,17).
What are the key properties of ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate?
ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 11369716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).