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

C26H26N2O3S — CID 11385298

IUPACN-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NC5CCCCC5)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C26H26N2O3S/c1-16-25(26(29)28-17-6-4-3-5-7-17)21-11-9-19(15-24(21)32-16)31-23-12-13-27-22-14-18(30-2)8-10-20(22)23/h8-15,17H,3-7H2,1-2H3,(H,28,29)
InChIKeyDKBISPCZLWSXCJ-UHFFFAOYSA-N
MW446.57 g/mol
LogP6.62
Rot. Bonds5

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

N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide (PubChem CID 11385298) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide
PubChem CID11385298
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide
SMILESCOc1ccc2c(Oc3ccc4c(C(=O)NC5CCCCC5)c(C)sc4c3)ccnc2c1
InChIInChI=1S/C26H26N2O3S/c1-16-25(26(29)28-17-6-4-3-5-7-17)21-11-9-19(15-24(21)32-16)31-23-12-13-27-22-14-18(30-2)8-10-20(22)23/h8-15,17H,3-7H2,1-2H3,(H,28,29)
InChIKeyDKBISPCZLWSXCJ-UHFFFAOYSA-N
XLogP6.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide (CID 11385298) is N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide is COc1ccc2c(Oc3ccc4c(C(=O)NC5CCCCC5)c(C)sc4c3)ccnc2c1.
What is the InChIKey of N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is DKBISPCZLWSXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-16-25(26(29)28-17-6-4-3-5-7-17)21-11-9-19(15-24(21)32-16)31-23-12-13-27-22-14-18(30-2)8-10-20(22)23/h8-15,17H,3-7H2,1-2H3,(H,28,29).
What are the key properties of N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide?
N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11385298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).