ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate

C16H17N3O2S — CID 15514652

IUPACethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
SMILESCCNc1c2ccccc2nc2sc(C(=O)OCC)c(N)c12
InChIInChI=1S/C16H17N3O2S/c1-3-18-13-9-7-5-6-8-10(9)19-15-11(13)12(17)14(22-15)16(20)21-4-2/h5-8H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyPLDHRMSAFHCMBZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.64
Rot. Bonds4

About ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate

ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate (PubChem CID 15514652) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
PubChem CID15514652
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Nameethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
SMILESCCNc1c2ccccc2nc2sc(C(=O)OCC)c(N)c12
InChIInChI=1S/C16H17N3O2S/c1-3-18-13-9-7-5-6-8-10(9)19-15-11(13)12(17)14(22-15)16(20)21-4-2/h5-8H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyPLDHRMSAFHCMBZ-UHFFFAOYSA-N
XLogP3.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514651
ethyl 3-amino-4-(butylamino)thieno[3,2-c]quinoline-2-carboxylate
CID 11163711
ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3440881
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 2747019
ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
CID 11369716
ethyl 15-cyclohexyl-10-thia-8,13,14,15-tetrazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,11,13-heptaene-11-carboxylate
CID 101103173
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate (CID 15514652) is ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate is CCNc1c2ccccc2nc2sc(C(=O)OCC)c(N)c12.
What is the InChIKey of ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is PLDHRMSAFHCMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-18-13-9-7-5-6-8-10(9)19-15-11(13)12(17)14(22-15)16(20)21-4-2/h5-8H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate?
ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 15514652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).