2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

C25H22N4O3S — CID 67368250

IUPAC2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2ccc3nccnc3c2)C1c1cccs1
InChIInChI=1S/C25H22N4O3S/c1-32-13-12-29-23(21-7-4-14-33-21)22(17-5-2-3-6-18(17)25(29)31)24(30)28-16-8-9-19-20(15-16)27-11-10-26-19/h2-11,14-15,22-23H,12-13H2,1H3,(H,28,30)
InChIKeySKCZGFPDWWAWSR-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.26
Rot. Bonds6

About 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 67368250) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID67368250
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C(=O)c2ccccc2C(C(=O)Nc2ccc3nccnc3c2)C1c1cccs1
InChIInChI=1S/C25H22N4O3S/c1-32-13-12-29-23(21-7-4-14-33-21)22(17-5-2-3-6-18(17)25(29)31)24(30)28-16-8-9-19-20(15-16)27-11-10-26-19/h2-11,14-15,22-23H,12-13H2,1H3,(H,28,30)
InChIKeySKCZGFPDWWAWSR-UHFFFAOYSA-N
XLogP4.26
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide (CID 67368250) is 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide is COCCN1C(=O)c2ccccc2C(C(=O)Nc2ccc3nccnc3c2)C1c1cccs1.
What is the InChIKey of 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is SKCZGFPDWWAWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-32-13-12-29-23(21-7-4-14-33-21)22(17-5-2-3-6-18(17)25(29)31)24(30)28-16-8-9-19-20(15-16)27-11-10-26-19/h2-11,14-15,22-23H,12-13H2,1H3,(H,28,30).
What are the key properties of 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-oxo-N-quinoxalin-6-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 67368250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).