ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate

C21H23N3O4S — CID 46249798

IUPACethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1
InChIInChI=1S/C21H23N3O4S/c1-3-28-21(26)24-8-6-15(7-9-24)22-19(25)18-11-14-10-13-4-5-16(27-2)12-17(13)23-20(14)29-18/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25)
InChIKeyNJTWJEOQJOEMNI-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.81
Rot. Bonds4

About ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 46249798) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID46249798
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Nameethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1
InChIInChI=1S/C21H23N3O4S/c1-3-28-21(26)24-8-6-15(7-9-24)22-19(25)18-11-14-10-13-4-5-16(27-2)12-17(13)23-20(14)29-18/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25)
InChIKeyNJTWJEOQJOEMNI-UHFFFAOYSA-N
XLogP3.81
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate (CID 46249798) is ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1.
What is the InChIKey of ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is NJTWJEOQJOEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-3-28-21(26)24-8-6-15(7-9-24)22-19(25)18-11-14-10-13-4-5-16(27-2)12-17(13)23-20(14)29-18/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 413.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 46249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).