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

C20H23N3O2S — CID 15514651

IUPACethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc3ccccc3c(NC3CCCCC3)c2c1N
InChIInChI=1S/C20H23N3O2S/c1-2-25-20(24)18-16(21)15-17(22-12-8-4-3-5-9-12)13-10-6-7-11-14(13)23-19(15)26-18/h6-7,10-12H,2-5,8-9,21H2,1H3,(H,22,23)
InChIKeyUEQOITUGWATJRR-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.95
Rot. Bonds4

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

ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate (PubChem CID 15514651) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate
PubChem CID15514651
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Nameethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc3ccccc3c(NC3CCCCC3)c2c1N
InChIInChI=1S/C20H23N3O2S/c1-2-25-20(24)18-16(21)15-17(22-12-8-4-3-5-9-12)13-10-6-7-11-14(13)23-19(15)26-18/h6-7,10-12H,2-5,8-9,21H2,1H3,(H,22,23)
InChIKeyUEQOITUGWATJRR-UHFFFAOYSA-N
XLogP4.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-(ethylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514652
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 4-(cyclobutylamino)cinnoline-3-carboxylate
CID 64624194
ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
CID 141107459
ethyl 4-(cyclopentylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963424
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
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 3-amino-4-(butylamino)thieno[3,2-c]quinoline-2-carboxylate
CID 11163711
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate (CID 15514651) is ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1sc2nc3ccccc3c(NC3CCCCC3)c2c1N.
What is the InChIKey of ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is UEQOITUGWATJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-25-20(24)18-16(21)15-17(22-12-8-4-3-5-9-12)13-10-6-7-11-14(13)23-19(15)26-18/h6-7,10-12H,2-5,8-9,21H2,1H3,(H,22,23).
What are the key properties of ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate?
ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 4.95, 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-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 15514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).