3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide

C22H19N3O2S — CID 175825990

IUPAC3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide
SMILESCOc1ccc(-c2ccc(Cc3nc4ccccc4nc3C(N)=O)s2)cc1C
InChIInChI=1S/C22H19N3O2S/c1-13-11-14(7-9-19(13)27-2)20-10-8-15(28-20)12-18-21(22(23)26)25-17-6-4-3-5-16(17)24-18/h3-11H,12H2,1-2H3,(H2,23,26)
InChIKeyXEYZHSMPASGDSV-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.37
Rot. Bonds5

About 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide

3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide (PubChem CID 175825990) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide
PubChem CID175825990
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide
SMILESCOc1ccc(-c2ccc(Cc3nc4ccccc4nc3C(N)=O)s2)cc1C
InChIInChI=1S/C22H19N3O2S/c1-13-11-14(7-9-19(13)27-2)20-10-8-15(28-20)12-18-21(22(23)26)25-17-6-4-3-5-16(17)24-18/h3-11H,12H2,1-2H3,(H2,23,26)
InChIKeyXEYZHSMPASGDSV-UHFFFAOYSA-N
XLogP4.37
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide (CID 175825990) is 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide is COc1ccc(-c2ccc(Cc3nc4ccccc4nc3C(N)=O)s2)cc1C.
What is the InChIKey of 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide?
The InChIKey is XEYZHSMPASGDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-11-14(7-9-19(13)27-2)20-10-8-15(28-20)12-18-21(22(23)26)25-17-6-4-3-5-16(17)24-18/h3-11H,12H2,1-2H3,(H2,23,26).
What are the key properties of 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide?
3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 175825990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).