4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

C17H11ClN2O2S — CID 45106253

IUPAC4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C17H11ClN2O2S/c18-16-12-8-14(17(21)19-9-10-4-3-7-22-10)23-15(12)11-5-1-2-6-13(11)20-16/h1-8H,9H2,(H,19,21)
InChIKeyQJUPQYYDKBMXOT-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.63
Rot. Bonds3

About 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 45106253) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID45106253
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC Name4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C17H11ClN2O2S/c18-16-12-8-14(17(21)19-9-10-4-3-7-22-10)23-15(12)11-5-1-2-6-13(11)20-16/h1-8H,9H2,(H,19,21)
InChIKeyQJUPQYYDKBMXOT-UHFFFAOYSA-N
XLogP4.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (CID 45106253) is 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is O=C(NCc1ccco1)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is QJUPQYYDKBMXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c18-16-12-8-14(17(21)19-9-10-4-3-7-22-10)23-15(12)11-5-1-2-6-13(11)20-16/h1-8H,9H2,(H,19,21).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 342.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 45106253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).