8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C22H20N2O3S — CID 27375633

IUPAC8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1
InChIInChI=1S/C22H20N2O3S/c1-26-11-10-23-22(25)21-19(14-6-4-3-5-7-14)17-13-24-18-9-8-15(27-2)12-16(18)20(17)28-21/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)
InChIKeyNJJHLTKSUFOKSO-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.50
Rot. Bonds6

About 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 27375633) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID27375633
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1
InChIInChI=1S/C22H20N2O3S/c1-26-11-10-23-22(25)21-19(14-6-4-3-5-7-14)17-13-24-18-9-8-15(27-2)12-16(18)20(17)28-21/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)
InChIKeyNJJHLTKSUFOKSO-UHFFFAOYSA-N
XLogP4.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776637
8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776755
8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776625
8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776788
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776734
3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776760
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 94073785
methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate
CID 97032780
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
3-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 50776681

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 27375633) is 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is COCCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1.
What is the InChIKey of 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is NJJHLTKSUFOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-26-11-10-23-22(25)21-19(14-6-4-3-5-7-14)17-13-24-18-9-8-15(27-2)12-16(18)20(17)28-21/h3-9,12-13H,10-11H2,1-2H3,(H,23,25).
What are the key properties of 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 27375633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).