8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide

C23H21FN2O2S — CID 50776755

IUPAC8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccc2ncc3c(-c4ccc(F)cc4)c(C(=O)NCCOC)sc3c2c1
InChIInChI=1S/C23H21FN2O2S/c1-3-14-4-9-19-17(12-14)21-18(13-26-19)20(15-5-7-16(24)8-6-15)22(29-21)23(27)25-10-11-28-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27)
InChIKeyGVWATIGOMZGPKV-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.19
Rot. Bonds6

About 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide

8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776755) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776755
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccc2ncc3c(-c4ccc(F)cc4)c(C(=O)NCCOC)sc3c2c1
InChIInChI=1S/C23H21FN2O2S/c1-3-14-4-9-19-17(12-14)21-18(13-26-19)20(15-5-7-16(24)8-6-15)22(29-21)23(27)25-10-11-28-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27)
InChIKeyGVWATIGOMZGPKV-UHFFFAOYSA-N
XLogP5.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide (CID 50776755) is 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide is CCc1ccc2ncc3c(-c4ccc(F)cc4)c(C(=O)NCCOC)sc3c2c1.
What is the InChIKey of 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is GVWATIGOMZGPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-3-14-4-9-19-17(12-14)21-18(13-26-19)20(15-5-7-16(24)8-6-15)22(29-21)23(27)25-10-11-28-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27).
What are the key properties of 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).