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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Related Compounds

(3-Amino-6-methyl-thieno[2,3-b]quinolin-2-yl)-morpholin-4-yl-methanone
CID 646043
Thiophene-2-carboxylic acid (cyclohexylcarbamoyl-quinolin-6-yl-methyl)-thiophen-2-ylmethyl-amide
CID 3219096
3,5-dimethyl-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
CID 4582436
N-(4-fluorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 16028867
N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 16028871
6-methyl-N-[2-(4-methylphenyl)ethyl]thieno[2,3-b]quinoline-2-carboxamide
CID 16028877
2-pyridin-4-yl-7-quinolin-8-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56670463
7-(4-Fluoroanilino)-3-(quinolin-8-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 137635796
1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide
CID 50904170
2,6-Difluoro-N-[2-(3-{[2-(morpholin-4-YL)-2-oxoethyl]sulfanyl}-1H-indol-1-YL)ethyl]benzamide
CID 4530119
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
6-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]thieno[2,3-b]quinoline-2-carboxamide
CID 16028878

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).