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

C23H22N2O3S — CID 11200597

IUPAC6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide
SMILESCCCNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
InChIInChI=1S/C23H22N2O3S/c1-4-10-25-23(26)22-14(2)29-21-13-16(6-8-18(21)22)28-20-9-11-24-19-12-15(27-3)5-7-17(19)20/h5-9,11-13H,4,10H2,1-3H3,(H,25,26)
InChIKeyKOUNGIKQSYVTTH-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.70
Rot. Bonds6

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

6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide (PubChem CID 11200597) 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-propyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide
PubChem CID11200597
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide
SMILESCCCNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
InChIInChI=1S/C23H22N2O3S/c1-4-10-25-23(26)22-14(2)29-21-13-16(6-8-18(21)22)28-20-9-11-24-19-12-15(27-3)5-7-17(19)20/h5-9,11-13H,4,10H2,1-3H3,(H,25,26)
InChIKeyKOUNGIKQSYVTTH-UHFFFAOYSA-N
XLogP5.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-propyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide (CID 11200597) is 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide is CCCNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(OC)ccc34)ccc12.
What is the InChIKey of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide?
The InChIKey is KOUNGIKQSYVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-4-10-25-23(26)22-14(2)29-21-13-16(6-8-18(21)22)28-20-9-11-24-19-12-15(27-3)5-7-17(19)20/h5-9,11-13H,4,10H2,1-3H3,(H,25,26).
What are the key properties of 6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide?
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-propyl-1-benzothiophene-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.70, 6 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-propyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11200597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).