6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide

C23H22N2O3S — CID 11350285

IUPAC6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NC(C)C)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C23H22N2O3S/c1-13(2)25-23(26)22-14(3)29-21-12-16(6-8-18(21)22)28-20-9-10-24-19-11-15(27-4)5-7-17(19)20/h5-13H,1-4H3,(H,25,26)
InChIKeyWPSQQZBHLZFQBR-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.70
Rot. Bonds5

About 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide

6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide (PubChem CID 11350285) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide
PubChem CID11350285
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NC(C)C)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C23H22N2O3S/c1-13(2)25-23(26)22-14(3)29-21-12-16(6-8-18(21)22)28-20-9-10-24-19-11-15(27-4)5-7-17(19)20/h5-13H,1-4H3,(H,25,26)
InChIKeyWPSQQZBHLZFQBR-UHFFFAOYSA-N
XLogP5.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide (CID 11350285) is 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide is COc1ccc2c(Oc3ccc4c(C(=O)NC(C)C)c(C)sc4c3)ccnc2c1.
What is the InChIKey of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide?
The InChIKey is WPSQQZBHLZFQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-13(2)25-23(26)22-14(3)29-21-12-16(6-8-18(21)22)28-20-9-10-24-19-11-15(27-4)5-7-17(19)20/h5-13H,1-4H3,(H,25,26).
What are the key properties of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide?
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propan-2-yl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11350285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).