N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide

C24H22N2O4S — CID 70809892

IUPACN-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(C)C(=O)c1sc2c(c1OC)c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C24H22N2O4S/c1-4-25(2)24(29)22-20(30-3)19-21(31-22)16-12-8-9-13-17(16)26(23(19)28)14-18(27)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3
InChIKeyPWINAGXWEUSIDO-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.20
Rot. Bonds6

About N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide

N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 70809892) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID70809892
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(C)C(=O)c1sc2c(c1OC)c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C24H22N2O4S/c1-4-25(2)24(29)22-20(30-3)19-21(31-22)16-12-8-9-13-17(16)26(23(19)28)14-18(27)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3
InChIKeyPWINAGXWEUSIDO-UHFFFAOYSA-N
XLogP4.20
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide (CID 70809892) is N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide is CCN(C)C(=O)c1sc2c(c1OC)c(=O)n(CC(=O)c1ccccc1)c1ccccc21.
What is the InChIKey of N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is PWINAGXWEUSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-4-25(2)24(29)22-20(30-3)19-21(31-22)16-12-8-9-13-17(16)26(23(19)28)14-18(27)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 70809892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).